SCHEMBL6301700

SCHEMBL6301700

O=C(O)CN1CCNCC1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
HTR2C P28335 2/20 0.41
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SLC6A9 P48067 1/20 0.40
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RIPK1 Q13546 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2885089 0.88 SIGMAR1 (0.41) SIGMAR1HTR2CHTR2AHTR2BDPP4
SCHEMBL1109657 0.88 SIGMAR1 (0.41) SIGMAR1HTR2CHTR2AHTR2BDPP4
SCHEMBL10772014 0.88 ALDH1A1 (0.50) SIGMAR1HTR2CHTR2AHTR2BDPP4
Hydrochloric Acid SCHEMBL7293029 0.87 SIGMAR1 (0.40) SIGMAR1HTR2CHTR2AHTR2BDPP4
Hydrochloric Acid SCHEMBL28338297 0.83 MAPT (0.41) KDM4EMEN1KMT2A
SCHEMBL4977025 0.81 SLC18A3 (0.44) HTR2CHTR2AHTR2BCYP2D6SLC6A2
SCHEMBL410563 0.81 P2RX7 (0.43) HTR2CHTR2AHTR2BCYP2D6SLC6A2
SCHEMBL3978422 0.81 SLC6A2 (0.41) SIGMAR1HTR2CHTR2AHTR2BCYP2D6
SCHEMBL27843488 0.81 SLC6A2 (0.41) SIGMAR1HTR2CHTR2AHTR2BCYP2D6
SCHEMBL470870 0.81 P2RX7 (0.43) HTR2CHTR2AHTR2BCYP2D6SLC6A2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6869957-B1 Non-peptide tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-03-22 US disclosed
US-6727255-B1 BRAIN, NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2004-04-27 US disclosed
EP-0699665-B1 Imidazoline derivatives, their preparation and their use as tachykinin receptor antagonists LILLY CO ELI (US) 2003-03-05 EP disclosed
EP-0729468-B1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2003-01-15 EP disclosed
US-6403577-B1 Hexamethyleneiminyl tachykinin receptor antagonists ELI LILLY AND COMPANY 2002-06-11 US disclosed
CN-1078889-C Non-peptide tachykinin receptor antagonists LILLY CO ELI (US) 2002-02-06 CN disclosed
US-6303610-B1 ADMINISTERING TRYPTOPHAN DERIVATIVES AS NEUTROPHIL MEDIATED OXIDANT PRODUCTION FOR THERAPY OF NEUTROPHIL ASSOCIATED DISEASES AND DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
US-6175013-B1 1-(2-METHOXYBENZYL)-2-((4-PHENYL-1-PIPERAZINYL)METHYL)-4-(1H -INDOL-3-YLMETHYL)-2-IMIDAZOLINE, FOR EXAMPLE; ADMINSTERING TO TREAT ANXIETY, DEPRESSION, PSYCHOSIS, AND SCHIZOPHRENIA ELI LILLY AND COMPANY 2001-01-16 US disclosed
EP-0994712-A1 INHIBITORS OF NEUTROPHIL MEDIATED OXIDANT PRODUCTION ELI LILLY AND COMPANY (US) 2000-04-26 EP disclosed
WO-1999002163-A1 INHIBITORS OF NEUTROPHIL MEDIATED OXIDANT PRODUCTION ELI LILLY AND COMPANY (US) 1999-01-21 WO disclosed
US-5670499-A PHYSIOLOGICAL DISORDERS, GASTROINTESTINAL DISORDERS, ANTIINFLAMMATORY AGENTS ELI LILLY AND COMPANY (US) 1997-09-23 US disclosed
EP-0761219-A1 2-Acylaminopropanamines as growth hormone secretagogues ELI LILLY AND COMPANY (US) 1997-03-12 EP disclosed
WO-1997007117-A1 2-ACYLAMINOPROPANAMINES AS GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1997-02-27 WO disclosed
CN-1141043-A Non-peptide tachykinin receptor antagonists LILLY CO ELI (US) 1997-01-22 CN disclosed
EP-0729468-A1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-09-04 EP disclosed
EP-0729468-A4 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1996-07-12 EP disclosed
EP-0699665-A1 Imidazoline derivatives, their preparation and their use as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-03-06 EP disclosed
EP-0699674-A1 1-Aryl-2-acetylamidopentanone derivatives for use as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-03-06 EP disclosed
EP-0686629-A2 Cyclohexyl tachykinine receptor antagonists ELI LILLY AND COMPANY (US) 1995-12-13 EP disclosed
WO-1995014017-A1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1995-05-26 WO disclosed