SCHEMBL3428535

SCHEMBL3428535

CCC(CCCN)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.61
HTR2A P28223 2/20 0.61
SLC7A5 Q01650 1/20 0.44
TAAR1 Q96RJ0 6/20 0.42
LMNA P02545 1/20 0.42
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
CCR5 P51681 1/20 0.40
CYP2D6 P10635 1/20 0.40
NR1I2 O75469 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Benzene SCHEMBL27904738 0.92 HTR2A (0.52) HRH1HTR2ASLC7A5TAAR1LMNA
SCHEMBL2917101 0.88 HRH1 (0.58) HRH1HTR2ATAAR1LMNAGABBR2
SCHEMBL3389035 0.86 HTR2A (0.59) HRH1HTR2ASLC7A5TAAR1GABBR2
SCHEMBL6543317 0.86 HTR2A (0.59) HRH1HTR2ASLC7A5TAAR1GABBR2
SCHEMBL28343866 0.83 NR1I2 (0.49) HRH1HTR2ALMNACCR5NR1I2
SCHEMBL11596175 0.83 HTR2A (0.65) HRH1HTR2ATAAR1GABBR2GABBR1
SCHEMBL598619 0.83 NR1I2 (0.49) HRH1HTR2ALMNACCR5NR1I2
SCHEMBL3906707 0.83 HRH1 (0.65) HRH1HTR2ATAAR1GABBR2GABBR1
SCHEMBL11312069 0.83 HTR2A (0.55) HRH1HTR2ASLC7A5NR1I2ALDH1A1
SCHEMBL29290892 0.82 HTR2A (0.48) HRH1HTR2ASLC7A5LMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1343024-A Organic amine used as additive in electrochemical battery MERCK PATENT GMBH (DE) 2002-04-03 CN claimed
US-20100323098-A1 ELECTRODE MATERIAL FOR RECHARGEABLE LITHIUM BATTERY, ELECTRODE STRUCTURAL BODY COMPRISING SAID ELECTRODE MATERIAL, RECHARGEABLE LITHIUM BATTERY HAVING SAID ELECTRODE STRUCTURAL BODY, PROCESS FOR THE PRODUCTION OF SAID ELECTRODE STRUCTURAL BODY, AND PROCESS FOR THE PRODUCTION OF SAID RECHARGEABLE LITHIUM BATTERY CANON KABUSHIKI KAISHA (JP) 2010-12-23 US disclosed
US-7803290-B2 Electrode material for rechargeable lithium battery, electrode structural body comprising said electrode material, rechargeable lithium battery having said electrode structural body, process for the production of said electrode structural body, and process for the production of said rechargeable lithium battery CANON KABUSHIKI KAISHA (JP) 2010-09-28 US disclosed
US-20080090152-A1 Electrode material for rechargeable lithium battery, electrode structural body comprising said electrode material, rechargeable lithium battery having said electrode structural body, process for the production of said electrode structual body, and process for the production of said rechargeable lithium battery CANON KABUSHIKI KAISHA (JP) 2008-04-17 US disclosed
US-7316792-B2 Electrode material for rechargeable lithium battery and electrode structural body comprising said electrode material CANON KABUSHIKI KAISHA (JP) 2008-01-08 US disclosed
US-7141187-B2 Electrode material for rechargeable lithium battery, electrode structural body comprising said electrode material, rechargeable lithium battery having said electrode structural body, process for the production of said electrode structural body, and process for the production of said rechargeable lithium battery CANON KABUSHIKI KAISHA (JP) 2006-11-28 US disclosed
US-20060237697-A1 Electrode material for rechargeable lithium battery, electrode structural body comprising said electrode material, rechargeable lithium battery having said electrode structural body, process for the production of said electrode structural body, and process for the production of said rechargeable lithium battery CANON KABUSHIKI KAISHA (JP) 2006-10-26 US disclosed
US-20030157407-A1 Electrode material for rechargeable lithium battery, electrode structural body comprising said electrode material, rechargeable lithium battery having said electrode structural body, process for the production of said electrode structural body, and process for the production of said rechargeable lithium battery CANON KABUSHIKI KAISHA (JP) 2003-08-21 US disclosed
EP-1313158-A2 Electrode material for rechargeable lithium battery, electrode comprising said electrode material, rechargeable lithium battery having said electrode , and process for the production thereof CANON KABUSHIKI KAISHA (JP) 2003-05-21 EP disclosed
CN-1343024-A Organic amine used as additive in electrochemical battery MERCK PATENT GMBH (DE) 2002-04-03 CN disclosed
US-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 US disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed
EP-0002604-A1 Quaternary ammonium salts, and their formulations and preparation ELI LILLY AND COMPANY (US) 1979-06-27 EP disclosed