SCHEMBL6875863

SCHEMBL6875863

CN(C)c1cc(NC2CCC(NC(=O)NC3C[C@H]3c3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.47
MCHR1 Q99705 7/20 0.45
KDM1A O60341 4/20 0.44
MAOB P27338 2/20 0.44
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
MAOA P21397 1/20 0.41
ADRA2A P08913 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
NPY5R Q15761 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
SCHEMBL6875849 1.00 EPHX2 (0.47) EPHX2MCHR1KDM1AMAOBCACNA1B
SCHEMBL6875855 1.00 EPHX2 (0.47) EPHX2MCHR1KDM1AMAOBCACNA1B
SCHEMBL6877977 0.85 HPGD (0.52) MCHR1MAOAADRA2ASMN1; SMN2KDM4E
SCHEMBL6877973 0.85 HPGD (0.52) MCHR1MAOAADRA2ASMN1; SMN2KDM4E
SCHEMBL6877968 0.85 HPGD (0.52) MCHR1MAOAADRA2ASMN1; SMN2KDM4E
SCHEMBL6874577 0.83 LMNA (0.52) MCHR1ADRA2ASMN1; SMN2KDM4ELMNA
SCHEMBL6874583 0.83 LMNA (0.52) MCHR1ADRA2ASMN1; SMN2KDM4ELMNA
SCHEMBL4030122 0.82 MCHR1 (0.61) EPHX2MCHR1KDM1AMAOBADRA2A
SCHEMBL4030119 0.82 MCHR1 (0.61) EPHX2MCHR1KDM1AMAOBADRA2A
SCHEMBL4030127 0.82 MCHR1 (0.61) EPHX2MCHR1KDM1AMAOBADRA2A

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