SCHEMBL6867197

SCHEMBL6867197

CN(C)c1cc(N[C@H]2CC[C@@H](CN(C(=O)O)c3ccc4ccccc4c3)CC2)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.43
MAPK14 Q16539 1/20 0.40
NPY5R Q15761 4/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRA2A P08913 11/20 0.37
HTR1A P08908 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
MELK Q14680 1/20 0.35
LTC4S Q16873 1/20 0.35
TRPV1 Q8NER1 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
SCHEMBL6867205 1.00 MCHR1 (0.43) MCHR1MAPK14NPY5RKDM4ELMNA
SCHEMBL6868737 0.90 MCHR1 (0.44) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL6879941 0.89 MCHR1 (0.43) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL6872629 0.85 MCHR1 (0.47) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL6872636 0.85 MCHR1 (0.47) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL6876704 0.84 MCHR1 (0.43) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL6876711 0.84 MCHR1 (0.43) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL6877861 0.83 MCHR1 (0.43) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL27652826 0.82 MCHR1 (0.43) MCHR1MAPK14NPY5RKDM4ELMNA
SCHEMBL27632549 0.81 MCHR1 (0.44) MCHR1NPY5RKDM4ELMNASMN1; SMN2

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