SCHEMBL818903

SCHEMBL818903

C=Cc1ccccc1C1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.55
SLC6A2 P23975 7/20 0.47
SLC6A4 P31645 7/20 0.47
SLC6A3 Q01959 7/20 0.47
HTR1A P08908 6/20 0.47
SLC18A3 Q16572 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
ADRB2 P07550 1/20 0.45

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
SCHEMBL817533 0.89 HTR2C (0.43) HTR2CSLC18A3SIGMAR1
SCHEMBL28958240 0.86 ALDH1A1 (0.43) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL27601204 0.82 ALDH1A1 (0.40) HTR2CSLC6A2SLC6A4HTR1A
SCHEMBL7719737 0.81 HTR2C (0.55) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL164339 0.81 PTGDR2 (0.39) HTR2CSLC6A2SLC6A4HTR1A
SCHEMBL816891 0.80 DRD2 (0.41) HTR2C
SCHEMBL30493303 0.80 HTR2C (0.72) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL27840469 0.79 HTR2C (0.46) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL20211625 0.78 ALDH1A1 (0.36) HTR2C
SCHEMBL1794189 0.78 ALDH1A1 (0.36) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102286130-A Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer 2011-12-21 CN disclosed
US-20110275756-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-10 US disclosed
US-20110245398-A1 METHOD FOR PRODUCING CONJUGATED DIENE POLYMER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-06 US disclosed
CN-102206353-A Method for producing conjugated diene polymer composition SUMITOMO CHEMICAL CO 2011-10-05 CN disclosed
CN-101160287-B Pyridyl non-aromatic nitrogenated heterocyclic-1-carboxylate ester derivative ASTELLAS PHARMA INC 2011-08-03 CN disclosed
CN-101160287-A Pyridyl non-aromatic nitrogenated heterocyclic-1-carboxylate ester derivative ASTELLAS PHARMA INC (JP) 2008-04-09 CN disclosed
CN-1076022-C Cyclic ether compounds as sodium channel modulators TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 CN disclosed
CN-1223652-A Cyclic ether compounds as sodium channel modulators TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-21 CN disclosed