SCHEMBL6879288

SCHEMBL6879288

Cc1cccc(C)c1NC(=O)NC1CCC(Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
MCHR1 Q99705 15/20 0.46
ADRA2A P08913 11/20 0.46
HRH1 P35367 4/20 0.46
HTR2B P41595 4/20 0.46
ADRA1A P35348 2/20 0.46
EPHX2 P34913 1/20 0.44
LCK P06239 1/20 0.41
PAK1 Q13153 1/20 0.40

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
SCHEMBL6879285 1.00 EPHX1 (0.53) EPHX1MCHR1ADRA2AHRH1HTR2B
SCHEMBL6869351 0.93 EPHX1 (0.46) EPHX1MCHR1ADRA2AHRH1HTR2B
SCHEMBL6869347 0.93 EPHX1 (0.46) EPHX1MCHR1ADRA2AHRH1HTR2B
SCHEMBL6462540 0.93 EPHX1 (0.45) EPHX1MCHR1ADRA2AHRH1HTR2B
SCHEMBL6462544 0.93 EPHX1 (0.45) EPHX1MCHR1ADRA2AHRH1HTR2B
SCHEMBL6464453 0.92 EPHX1 (0.44) EPHX1MCHR1ADRA2AHRH1HTR2B
SCHEMBL6464449 0.92 EPHX1 (0.44) EPHX1MCHR1ADRA2AHRH1HTR2B
SCHEMBL6464301 0.92 EPHX1 (0.44) EPHX1MCHR1ADRA2AHRH1HTR2B
SCHEMBL6464294 0.92 EPHX1 (0.44) EPHX1MCHR1ADRA2AHRH1HTR2B
SCHEMBL6876661 0.90 MCHR1 (0.44) EPHX1MCHR1ADRA2AHRH1HTR2B

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