SCHEMBL6879668

SCHEMBL6879668

CN(C)c1nc(NC2CCC(NC(=S)Nc3c(F)cc(F)cc3F)CC2)nc2c1CCCC2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.40
ADRA2A P08913 9/20 0.39
HRH1 P35367 5/20 0.39
HTR2B P41595 5/20 0.39
ADRA1A P35348 3/20 0.39
HTR1A P08908 1/20 0.39
NPY5R Q15761 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX12 P18054 1/20 0.34

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
SCHEMBL6879662 1.00 MCHR1 (0.40) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6869008 0.90 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6869001 0.90 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6879619 0.89 MCHR1 (0.40) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6879626 0.89 MCHR1 (0.40) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457895 0.88 MCHR1 (0.38) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457885 0.88 MCHR1 (0.38) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6866729 0.88 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6866736 0.88 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6456946 0.86 MCHR1 (0.40) MCHR1ADRA2AHRH1HTR2BADRA1A

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