SCHEMBL6876704

SCHEMBL6876704

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.43
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRA2A P08913 11/20 0.39
CCNK O75909 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
NPY5R Q15761 1/20 0.37
CAMK2D Q13557 2/20 0.36
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 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
SCHEMBL6876711 1.00 MCHR1 (0.43) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6868937 0.89 SMN1; SMN2 (0.44) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6868943 0.89 SMN1; SMN2 (0.44) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6878585 0.89 MCHR1 (0.43) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6878575 0.89 MCHR1 (0.43) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6878756 0.85 MCHR1 (0.50) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6878765 0.85 MCHR1 (0.50) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6867205 0.84 MCHR1 (0.43) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6867197 0.84 MCHR1 (0.43) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6867658 0.84 MCHR1 (0.48) MCHR1KDM4ELMNASMN1; SMN2ADRA2A

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