SCHEMBL6874706

SCHEMBL6874706

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3F)CC2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.53
ADRA2A P08913 12/20 0.53
HTR1A P08908 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46
NPY5R Q15761 1/20 0.46
RAB9A P51151 2/20 0.41
RXFP1 Q9HBX9 2/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6874715 1.00 MCHR1 (0.53) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6877666 0.90 MCHR1 (0.53) MCHR1ADRA2ARAB9AMAPT
SCHEMBL6877671 0.90 MCHR1 (0.53) MCHR1ADRA2ARAB9AMAPT
SCHEMBL6458632 0.88 MCHR1 (0.52) MCHR1ADRA2ARAB9AMAPT
SCHEMBL6458637 0.88 MCHR1 (0.52) MCHR1ADRA2ARAB9AMAPT
SCHEMBL6875760 0.88 MCHR1 (0.57) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6875767 0.88 MCHR1 (0.57) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6458281 0.87 MCHR1 (0.59) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6458289 0.87 MCHR1 (0.59) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6455649 0.85 MCHR1 (0.72) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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