SCHEMBL6868341

SCHEMBL6868341

CN(C)c1ccnc(N[C@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.47
ADRA2A P08913 4/20 0.47
HRH1 P35367 3/20 0.47
HTR2B P41595 3/20 0.47
ADRA1A P35348 1/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MCL1 Q07820 1/20 0.46
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 1/20 0.41

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
SCHEMBL6868350 1.00 MCHR1 (0.47) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6879434 0.89 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6879428 0.89 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874857 0.88 MCHR1 (0.45) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874864 0.88 MCHR1 (0.45) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876416 0.85 HPGD (0.61) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876408 0.85 HPGD (0.61) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462963 0.85 MCHR1 (0.53) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462965 0.85 MCHR1 (0.53) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6458588 0.83 MCHR1 (0.65) MCHR1ADRA2AHRH1HTR2BADRA1A

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