SCHEMBL2857779

SCHEMBL2857779

CC(N)Cc1ccccc1CC(C)N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.61
SLC6A4 P31645 4/20 0.61
SLC6A3 Q01959 3/20 0.61
TAAR1 Q96RJ0 2/20 0.61
MAOA P21397 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
CYP2A6 P11509 1/20 0.61
ADORA2A P29274 1/20 0.61
ADORA1 P30542 1/20 0.61
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
HTR2B P41595 2/20 0.53
ADRB1 P08588 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
HTR1E P28566 1/20 0.53
HTR7 P34969 1/20 0.53
HTR6 P50406 1/20 0.53

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
SCHEMBL27787183 0.93 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3TAAR1MAOA
SCHEMBL3458915 0.91 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3TAAR1MAOA
SCHEMBL27754455 0.91 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3TAAR1MAOA
SCHEMBL162317 0.91 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3TAAR1MAOA
SCHEMBL19285572 0.89 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3TAAR1MAOA
SCHEMBL27894267 0.89 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3TAAR1MAOA
SCHEMBL8977115 0.89 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3TAAR1MAOA
SCHEMBL711505 0.87 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3TAAR1MAOA
Ortetamine SCHEMBL209899 0.85 TAAR1 (0.52) SLC6A2SLC6A4SLC6A3TAAR1MAOA
SCHEMBL1724429 0.85 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3TAAR1MAOA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105017080-A 1, 4-bis (isocyanatomethyl) cyclohexane, polyisocyanate composition, spectacle material, spectacle frame, and lens MITSUI CHEMICALS INC 2015-11-04 CN disclosed
US-9168695-B2 Biaxially stretched polyamide resin film and production method thereof UNITIKA LTD. (JP) 2015-10-27 US disclosed
EP-2098560-B1 BIAXIALLY ORIENTED POLYAMIDE RESIN FILM AND METHOD FOR PRODUCTION THEREOF UNITIKA LTD (JP) 2015-09-09 EP disclosed
CN-104781229-A 1, 4-bis (isocyanatomethyl) cyclohexane, polyisocyanate composition, polyurethane resin, molded article, eyewear material, eyewear frame, and lens MITSUI CHEMICALS INC 2015-07-15 CN disclosed
EP-1970394-B1 METHOD FOR PRODUCING ALLOPHANATE GROUP-CONTAINING POLYISOCYANATE MITSUI CHEMICALS INC (JP) 2013-05-22 EP disclosed
EP-2520598-A2 Process for producing allophanate group-containing polyisocyanates, urethane prepolymers, and polyurethane resin compositions Mitsui Chemicals, Inc. (JP) 2012-11-07 EP disclosed
US-20100080985-A1 BIAXIALLY STRETCHED POLYAMIDE RESIN FILM AND PRODUCTION METHOD THEREOF UNITIKA LTD. (JP) 2010-04-01 US disclosed
EP-2098560-A1 BIAXIALLY ORIENTED POLYAMIDE RESIN FILM AND METHOD FOR PRODUCTION THEREOF Unitika Ltd. (JP) 2009-09-09 EP disclosed
US-20090036630-A1 Process for Producing Allophanate Group-Containing Polyisocyanates, Urethane Prepolymers, and Polyurethane Resin Compositions MITSUI CHEMICALS POLYURETHANES, INC. 2009-02-05 US disclosed
EP-1970394-A1 METHOD FOR PRODUCING ALLOPHANATE GROUP-CONTAINING POLYISOCYANATE, URETHANE PREPOLYMER AND POLYURETHANE RESIN COMPOSITION Mitsui Chemicals Polyurethanes, Inc. (JP) 2008-09-17 EP disclosed
US-20070298337-A1 MICROCAPSULES AND PROCESSES FOR PRODUCING THE SAME HAYASHI MASAKI 2007-12-27 US disclosed
US-7279121-B2 Process for producing electrophoretic microcapsules DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-10-09 US disclosed
US-7264875-B2 Microcapsules and processes for producing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-09-04 US disclosed
US-20060210711-A1 Processes for producing microcapsules DAICEL CHEMICAL INDUSTRIES, LTD. 2006-09-21 US disclosed
US-20050129946-A1 Microcapsules and processes for producing the same DAICEL CHEMICAL INDUSTRIES, LTD. 2005-06-16 US disclosed
US-20040195711-A1 Microcapsules and processes for producing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-10-07 US disclosed