SCHEMBL6879545

SCHEMBL6879545

CN(C)c1cc(NC2CCC(CNC(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.43
MCHR1 Q99705 3/20 0.41
ADRA2A P08913 2/20 0.41
TRPV1 Q8NER1 1/20 0.39
ACP1 P24666 1/20 0.39
IGF1R P08069 2/20 0.38
KDR P35968 1/20 0.38
POLB P06746 1/20 0.38
GRIK1 P39086 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
CNR2 P34972 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
NR1H4 Q96RI1 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
SCHEMBL6879539 1.00 NPY5R (0.43) NPY5RMCHR1ADRA2ATRPV1ACP1
SCHEMBL6867914 0.91 ACP1 (0.44) NPY5RMCHR1ADRA2ATRPV1ACP1
SCHEMBL6867920 0.91 ACP1 (0.44) NPY5RMCHR1ADRA2ATRPV1ACP1
SCHEMBL6868426 0.90 MCHR1 (0.44) NPY5RMCHR1ADRA2ATRPV1ACP1
SCHEMBL6868434 0.90 MCHR1 (0.44) NPY5RMCHR1ADRA2ATRPV1ACP1
SCHEMBL6464772 0.88 MCHR1 (0.41) NPY5RMCHR1ADRA2AACP1POLB
SCHEMBL6459092 0.88 MCHR1 (0.41) NPY5RMCHR1ADRA2AACP1POLB
SCHEMBL6878430 0.86 NPY5R (0.43) NPY5RMCHR1ADRA2APOLBACACB
SCHEMBL6878437 0.86 NPY5R (0.43) NPY5RMCHR1ADRA2APOLBACACB
SCHEMBL5526628 0.86 MCHR1 (0.57) NPY5RMCHR1ADRA2A

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