SCHEMBL6869014

SCHEMBL6869014

CC(NC(=O)NC1CCC(Nc2cc(N(C)C)c3ccccc3n2)CC1)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.46
LMNA P02545 2/20 0.46
MCHR1 Q99705 10/20 0.44
ADRA2A P08913 8/20 0.44
MAPK1 P28482 2/20 0.40
GPR139 Q6DWJ6 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
NPY5R Q15761 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
SCHEMBL6869011 1.00 EPHX1 (0.46) EPHX1LMNAMCHR1ADRA2AMAPK1
SCHEMBL6868596 0.94 EPHX1 (0.53) EPHX1LMNAMCHR1ADRA2AMAPK1
SCHEMBL6868601 0.94 EPHX1 (0.53) EPHX1LMNAMCHR1ADRA2AMAPK1
SCHEMBL6456053 0.85 MCHR1 (0.44) EPHX1LMNAMCHR1ADRA2ASMN1; SMN2
SCHEMBL6456045 0.85 MCHR1 (0.44) EPHX1LMNAMCHR1ADRA2ASMN1; SMN2
SCHEMBL6462062 0.85 MCHR1 (0.42) EPHX1MCHR1ADRA2AGPR139HTR1A
SCHEMBL6457316 0.85 MCHR1 (0.42) EPHX1MCHR1ADRA2AGPR139HTR1A
SCHEMBL6877613 0.84 MCHR1 (0.48) EPHX1LMNAMCHR1ADRA2ASMN1; SMN2
SCHEMBL6877619 0.84 MCHR1 (0.48) EPHX1LMNAMCHR1ADRA2ASMN1; SMN2
SCHEMBL6455836 0.83 MCHR1 (0.57) LMNAMCHR1ADRA2ASMN1; SMN2KDM4E

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