SCHEMBL6877272

SCHEMBL6877272

COc1ccc(C(=O)NC2CCC(Nc3cc(N(C)C)c4ccccc4n3)CC2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.54
ADRA2A P08913 11/20 0.54
MAPT P10636 3/20 0.53
HTR1A P08908 1/20 0.51
ADRA1A P35348 1/20 0.51
HRH1 P35367 1/20 0.51
HTR2B P41595 1/20 0.51
NPY5R Q15761 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6877264 1.00 MCHR1 (0.54) MCHR1ADRA2AMAPTHTR1AADRA1A
SCHEMBL6459860 0.92 SMPD1 (0.50) MCHR1ADRA2AMAPTHTR1AADRA1A
SCHEMBL6459862 0.92 SMPD1 (0.50) MCHR1ADRA2AMAPTHTR1AADRA1A
SCHEMBL6874136 0.91 MCHR1 (0.56) MCHR1ADRA2AMAPTHTR1AADRA1A
SCHEMBL6874142 0.91 MCHR1 (0.56) MCHR1ADRA2AMAPTHTR1AADRA1A
SCHEMBL6874537 0.91 MCHR1 (0.56) MCHR1ADRA2AMAPTHTR1AADRA1A
SCHEMBL6462694 0.89 MCHR1 (0.52) MCHR1ADRA2AMAPTHTR1AADRA1A
SCHEMBL6462686 0.89 MCHR1 (0.52) MCHR1ADRA2AMAPTHTR1AADRA1A
SCHEMBL6879865 0.87 MCHR1 (0.57) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6879862 0.87 MCHR1 (0.57) MCHR1ADRA2AHTR1AADRA1AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100451004-C Pyrimidine derivatives ARENA PHARM INC (JP) 2009-01-14 CN disclosed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed