SCHEMBL6878772

SCHEMBL6878772

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=S)Nc3ccc(Br)cc3F)CC2)nc2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.40
ADRA2A P08913 7/20 0.40
ADRA1A P35348 2/20 0.38
HRH1 P35367 2/20 0.38
HTR2B P41595 2/20 0.38
HTR1A P08908 1/20 0.38
NPY5R Q15761 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.37
ALOX12 P18054 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6878777 1.00 MCHR1 (0.40) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6462306 0.91 MCHR1 (0.41) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6866729 0.91 MCHR1 (0.42) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6458264 0.91 MCHR1 (0.41) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6866736 0.91 MCHR1 (0.42) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6458369 0.90 ALDH1A1 (0.45) MCHR1ADRA2AHRH1HTR2BALDH1A1
SCHEMBL6462906 0.90 ALDH1A1 (0.45) MCHR1ADRA2AHRH1HTR2BALDH1A1
SCHEMBL6875350 0.90 MCHR1 (0.43) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6875347 0.90 MCHR1 (0.43) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6872424 0.89 MCHR1 (0.41) MCHR1ADRA2AADRA1AHRH1HTR2B

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