SCHEMBL6875772

SCHEMBL6875772

Cc1cccc(C(C)C)c1NC(=O)N[C@H]1CC[C@@H](Nc2nccc(N(C)C)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
EPHX2 P34913 2/20 0.43
MCHR1 Q99705 12/20 0.42
ADRA2A P08913 6/20 0.41
HRH1 P35367 6/20 0.41
HTR2B P41595 6/20 0.41
ADRA1A P35348 3/20 0.41
AURKB Q96GD4 1/20 0.39
PAK1 Q13153 1/20 0.38
KDR P35968 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LCK P06239 1/20 0.37

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
SCHEMBL6875782 1.00 EPHX1 (0.44) EPHX1EPHX2MCHR1ADRA2AHRH1
SCHEMBL6873237 0.91 EPHX1 (0.53) EPHX1EPHX2MCHR1ADRA2AHRH1
SCHEMBL6873229 0.91 EPHX1 (0.53) EPHX1EPHX2MCHR1ADRA2AHRH1
SCHEMBL6868955 0.89 EPHX2 (0.42) EPHX2MCHR1ADRA2AHRH1HTR2B
SCHEMBL6868958 0.89 EPHX2 (0.42) EPHX2MCHR1ADRA2AHRH1HTR2B
SCHEMBL6880295 0.89 ALOX12 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6880292 0.89 ALOX12 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6458328 0.89 MCHR1 (0.42) EPHX1EPHX2MCHR1ADRA2AHRH1
SCHEMBL6458316 0.89 MCHR1 (0.42) EPHX1EPHX2MCHR1ADRA2AHRH1
SCHEMBL6876126 0.87 LCK (0.47) EPHX1EPHX2MCHR1ADRA2AHRH1

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