SCHEMBL6878657

SCHEMBL6878657

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=O)Nc3ccc(C#N)cc3)CC2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.49
MCHR1 Q99705 4/20 0.49
ADRA2A P08913 3/20 0.49
EPHX2 P34913 3/20 0.43
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
S1PR1 P21453 1/20 0.39
OPRD1 P41143 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6878665 1.00 EPHX1 (0.49) EPHX1MCHR1ADRA2AEPHX2LMNA
SCHEMBL6868161 0.89 MCHR1 (0.45) MCHR1ADRA2ALMNASMN1; SMN2KDM4E
SCHEMBL6868153 0.89 MCHR1 (0.45) MCHR1ADRA2ALMNASMN1; SMN2KDM4E
SCHEMBL6877892 0.89 MCHR1 (0.42) EPHX1MCHR1ADRA2A
SCHEMBL6877903 0.89 MCHR1 (0.42) EPHX1MCHR1ADRA2A
SCHEMBL6877703 0.87 MCHR1 (0.59) MCHR1ADRA2ALMNASMN1; SMN2KDM4E
SCHEMBL6877713 0.87 MCHR1 (0.59) MCHR1ADRA2ALMNASMN1; SMN2KDM4E
SCHEMBL6877589 0.86 EPHX1 (0.53) EPHX1MCHR1ADRA2AEPHX2
SCHEMBL6880103 0.86 SIGMAR1 (0.48) EPHX1MCHR1ADRA2ALMNASMN1; SMN2
SCHEMBL6880110 0.86 SIGMAR1 (0.48) EPHX1MCHR1ADRA2ALMNASMN1; 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