SCHEMBL6877641

SCHEMBL6877641

CN(C)c1nc(N[C@H]2CC[C@@H](CNC(=O)Cc3csc4ccccc34)CC2)nc2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MCHR1 Q99705 8/20 0.40
ADRA2A P08913 5/20 0.40
NPY5R Q15761 2/20 0.40
ADRA1A P35348 2/20 0.39
HTR2B P41595 2/20 0.39
HRH1 P35367 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
MAPT P10636 1/20 0.37
HTR1A P08908 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
SCHEMBL6877646 1.00 SMN1; SMN2 (0.43) SMN1; SMN2TP53RXFP1MCHR1ADRA2A
SCHEMBL6867699 0.89 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6867705 0.89 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL7042577 0.87 MCHR1 (0.48) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL7042582 0.87 MCHR1 (0.48) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL13793786 0.87 MCHR1 (0.52) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6878486 0.87 MCHR1 (0.42) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6878481 0.87 MCHR1 (0.42) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6880125 0.84 MCHR1 (0.42) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6878444 0.84 MCHR1 (0.41) 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