SCHEMBL6867422

SCHEMBL6867422

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.44
NPY5R Q15761 6/20 0.42
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRA2A P08913 13/20 0.38
HTR1A P08908 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
MELK Q14680 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
SCHEMBL6867425 1.00 MCHR1 (0.44) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL6867750 0.92 MCHR1 (0.45) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL6867756 0.92 MCHR1 (0.45) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL6877704 0.85 MCHR1 (0.45) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL6877712 0.85 MCHR1 (0.45) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL6878517 0.85 MCHR1 (0.42) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL6878524 0.85 MCHR1 (0.42) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL6879061 0.84 MCHR1 (0.43) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL6877444 0.84 MCHR1 (0.43) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL6877437 0.84 MCHR1 (0.43) 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