SCHEMBL6877468

SCHEMBL6877468

COc1ccc(F)cc1CNC[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.46
ADRA2A P08913 8/20 0.46
NPY5R Q15761 3/20 0.46
KCNH2 Q12809 2/20 0.41
CYP2D6 P10635 1/20 0.41
GRIN2B Q13224 1/20 0.41
HTR2B P41595 6/20 0.40
ADRA1A P35348 3/20 0.40
HRH1 P35367 2/20 0.40
HTR2A P28223 4/20 0.38
HTR2C P28335 4/20 0.37
EHMT2 Q96KQ7 2/20 0.37
HTR1A P08908 1/20 0.36

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
SCHEMBL6877474 1.00 MCHR1 (0.46) MCHR1ADRA2ANPY5RKCNH2CYP2D6
SCHEMBL6873945 0.91 MCHR1 (0.44) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6457972 0.91 MCHR1 (0.44) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6875024 0.91 MCHR1 (0.53) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6875028 0.91 MCHR1 (0.53) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6880426 0.91 MCHR1 (0.43) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6880420 0.91 MCHR1 (0.43) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6878131 0.89 MCHR1 (0.44) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6878137 0.89 MCHR1 (0.44) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6872909 0.89 MCHR1 (0.45) MCHR1ADRA2ANPY5RHTR2BADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed