SCHEMBL6875593

SCHEMBL6875593

CC(NC(=O)NC1CCC(Nc2nc3c(c(N(C)C)n2)CCCC3)CC1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.54
LMNA P02545 1/20 0.54
MCHR1 Q99705 15/20 0.44
ADRA2A P08913 14/20 0.44
HRH1 P35367 3/20 0.42
HTR2B P41595 3/20 0.42
ADRA1A P35348 2/20 0.42
HTR1A P08908 1/20 0.42
NPY5R Q15761 1/20 0.42
MAPK1 P28482 2/20 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
SCHEMBL6875584 1.00 EPHX1 (0.54) EPHX1LMNAMCHR1ADRA2AHRH1
SCHEMBL6455682 0.91 MCHR1 (0.44) EPHX1LMNAMCHR1ADRA2AHRH1
SCHEMBL6455676 0.91 MCHR1 (0.44) EPHX1LMNAMCHR1ADRA2AHRH1
SCHEMBL6463572 0.91 EPHX1 (0.42) EPHX1LMNAMCHR1ADRA2AHRH1
SCHEMBL6463579 0.91 EPHX1 (0.42) EPHX1LMNAMCHR1ADRA2AHRH1
SCHEMBL6880504 0.89 MCHR1 (0.51) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6880499 0.89 MCHR1 (0.51) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877350 0.89 ALPL (0.50) EPHX1LMNAMCHR1ADRA2AHRH1
SCHEMBL6877569 0.89 ALPL (0.50) EPHX1LMNAMCHR1ADRA2AHRH1
SCHEMBL6877575 0.89 ALPL (0.50) EPHX1LMNAMCHR1ADRA2AHRH1

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