SCHEMBL6875347

SCHEMBL6875347

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.43
ADRA2A P08913 8/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
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
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6875350 1.00 MCHR1 (0.43) MCHR1ADRA2AHTTNPC1POLB
SCHEMBL6458714 0.91 MCHR1 (0.45) MCHR1ADRA2AHTTHRH1HTR2B
SCHEMBL6464517 0.91 MCHR1 (0.45) MCHR1ADRA2AHTTPOLBALDH1A1
SCHEMBL6462309 0.91 MCHR1 (0.45) MCHR1ADRA2AHTTHRH1HTR2B
SCHEMBL6464523 0.91 MCHR1 (0.45) MCHR1ADRA2AHTTPOLBALDH1A1
SCHEMBL6868709 0.91 NPC1 (0.53) MCHR1ADRA2ANPC1POLBRAB9A
SCHEMBL6868705 0.91 NPC1 (0.53) MCHR1ADRA2ANPC1POLBRAB9A
SCHEMBL6878772 0.90 MCHR1 (0.40) MCHR1ADRA2ANPC1RAB9AALDH1A1
SCHEMBL6878777 0.90 MCHR1 (0.40) MCHR1ADRA2ANPC1RAB9AALDH1A1
SCHEMBL6459674 0.90 HTT (0.58) MCHR1ADRA2AHTTRAB9AHRH1

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