SCHEMBL6876990

SCHEMBL6876990

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)Nc3ccc(F)cc3[N+](=O)[O-])CC2)nc2c1CCCC2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.42
ADRA2A P08913 6/20 0.42
ADRA1A P35348 2/20 0.42
HRH1 P35367 2/20 0.42
HTR2B P41595 2/20 0.42
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
HTR1A P08908 1/20 0.38
NPY5R Q15761 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HCAR3 P49019 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
SCHEMBL6876996 1.00 MCHR1 (0.42) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6875058 0.91 MCHR1 (0.42) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6875065 0.91 MCHR1 (0.42) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6867788 0.90 MCHR1 (0.42) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6867783 0.90 MCHR1 (0.42) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6879289 0.89 ALDH1A1 (0.45) MCHR1ADRA2ANPC1RAB9AKMT2A
SCHEMBL6879286 0.89 ALDH1A1 (0.45) MCHR1ADRA2ANPC1RAB9AKMT2A
SCHEMBL6875135 0.88 MCHR1 (0.41) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6875129 0.88 MCHR1 (0.41) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6869288 0.88 KMT2A (0.47) MCHR1ADRA2AADRA1AHRH1HTR2B

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