SCHEMBL6879059

SCHEMBL6879059

CN(C)c1nc(NC2CCC(NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC2)nc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.44
ADRA2A P08913 4/20 0.42
ADRA1A P35348 2/20 0.42
HRH1 P35367 2/20 0.42
HTR2B P41595 2/20 0.42
HTR1A P08908 1/20 0.42
NPY5R Q15761 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
CXCR3 P49682 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 6/20 0.41
AR P10275 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
SCHEMBL6879056 1.00 MCHR1 (0.44) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6878317 0.91 CCNC (0.53) CCNCCDK8KMT2ASMN1; SMN2EPHX2
SCHEMBL6878327 0.91 CCNC (0.53) CCNCCDK8KMT2ASMN1; SMN2EPHX2
SCHEMBL6877094 0.90 NPC1 (0.53) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6877102 0.90 NPC1 (0.53) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6878755 0.90 MCHR1 (0.40) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6878762 0.90 MCHR1 (0.40) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6878058 0.88 MEN1 (0.58) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6878062 0.88 MEN1 (0.58) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6877906 0.87 EPHX2 (0.48) MCHR1ADRA2AEPHX2

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