SCHEMBL6876783

SCHEMBL6876783

CN(C)c1cc(NC2CCC(CNC(=O)c3c(F)cccc3Cl)CC2)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.43
ADRA2A P08913 6/20 0.43
NPY5R Q15761 4/20 0.43
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
ADRA1A P35348 2/20 0.40
HRH1 P35367 2/20 0.40
HTR2B P41595 2/20 0.40
P2RX7 Q99572 3/20 0.40
HTR1A P08908 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL6876778 1.00 MCHR1 (0.43) MCHR1ADRA2ANPY5RACACBACACA
SCHEMBL6876773 0.94 MCHR1 (0.46) MCHR1ADRA2ANPY5RACACBACACA
SCHEMBL6876767 0.94 MCHR1 (0.46) MCHR1ADRA2ANPY5RACACBACACA
SCHEMBL6464258 0.94 NPY5R (0.45) MCHR1ADRA2ANPY5RACACBACACA
SCHEMBL6464256 0.94 NPY5R (0.45) MCHR1ADRA2ANPY5RACACBACACA
SCHEMBL6875545 0.91 NPY5R (0.45) MCHR1ADRA2ANPY5RACACBACACA
SCHEMBL6875542 0.91 NPY5R (0.45) MCHR1ADRA2ANPY5RACACBACACA
SCHEMBL6875578 0.89 MCHR1 (0.47) MCHR1ADRA2ANPY5RACACBACACA
SCHEMBL6875585 0.89 MCHR1 (0.47) MCHR1ADRA2ANPY5RACACBACACA
SCHEMBL6873062 0.89 MCHR1 (0.45) MCHR1ADRA2ANPY5RACACBACACA

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