SCHEMBL6875778

SCHEMBL6875778

CN(C)c1cc(N[C@H]2CC[C@@H](CNC(=O)c3cncc(Br)c3)CC2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.47
ADRA2A P08913 6/20 0.47
NPY5R Q15761 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
CACNA1I Q9P0X4 1/20 0.45
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ADRA1A P35348 2/20 0.41
HTR2B P41595 2/20 0.41
HRH1 P35367 1/20 0.41
POLB P06746 1/20 0.41
HTR1A P08908 1/20 0.39
GLA P06280 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
SCHEMBL6463136 0.90 MCHR1 (0.56) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6463133 0.90 MCHR1 (0.56) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6457744 0.90 MCHR1 (0.51) MCHR1ADRA2ANPY5RSMN1; SMN2ALDH1A1
SCHEMBL6457739 0.90 MCHR1 (0.51) MCHR1ADRA2ANPY5RSMN1; SMN2ALDH1A1
SCHEMBL6878417 0.89 MCHR1 (0.56) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6878421 0.89 MCHR1 (0.56) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6872722 0.85 HDAC3 (0.48) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6872721 0.85 HDAC3 (0.48) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6463174 0.85 MCHR1 (0.46) MCHR1ADRA2ANPY5RSMN1; SMN2ADRA1A
SCHEMBL13793236 0.85 MCHR1 (0.65) MCHR1ADRA2ANPY5RADRA1AHTR2B

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