SCHEMBL6875129

SCHEMBL6875129

Cc1cc(NC(=O)N[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c([N+](=O)[O-])cc1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.41
ADRA2A P08913 6/20 0.41
KMT2A Q03164 3/20 0.41
HRH1 P35367 4/20 0.38
HTR2B P41595 4/20 0.38
ADRA1A P35348 2/20 0.38
TP53 P04637 1/20 0.37
RECQL P46063 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6875135 1.00 MCHR1 (0.41) MCHR1ADRA2AKMT2AHRH1HTR2B
SCHEMBL6875065 0.91 MCHR1 (0.42) MCHR1ADRA2AKMT2AHRH1HTR2B
SCHEMBL6875058 0.91 MCHR1 (0.42) MCHR1ADRA2AKMT2AHRH1HTR2B
SCHEMBL6876990 0.88 MCHR1 (0.42) MCHR1ADRA2AKMT2AHRH1HTR2B
SCHEMBL6867788 0.88 MCHR1 (0.42) MCHR1ADRA2AKMT2AHRH1HTR2B
SCHEMBL6867783 0.88 MCHR1 (0.42) MCHR1ADRA2AKMT2AHRH1HTR2B
SCHEMBL6876996 0.88 MCHR1 (0.42) MCHR1ADRA2AKMT2AHRH1HTR2B
SCHEMBL6867278 0.88 ALDH1A1 (0.43) MCHR1ADRA2AKMT2AHRH1HTR2B
SCHEMBL6867273 0.88 ALDH1A1 (0.43) MCHR1ADRA2AKMT2AHRH1HTR2B
SCHEMBL6869288 0.88 KMT2A (0.47) MCHR1ADRA2AKMT2AHRH1HTR2B

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