SCHEMBL6878437

SCHEMBL6878437

CN(C)c1cc(NC2CCC(CNC(=O)Nc3ccccc3Cl)CC2)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.43
MCHR1 Q99705 5/20 0.42
ADRA2A P08913 3/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK10 P53779 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL6878430 1.00 NPY5R (0.43) NPY5RMCHR1ADRA2AACACBACACA
SCHEMBL6456892 0.94 MEN1 (0.42) NPY5RMCHR1ADRA2AACACBACACA
SCHEMBL6456897 0.94 MEN1 (0.42) NPY5RMCHR1ADRA2AACACBACACA
Hydrochloric Acid SCHEMBL6459011 0.93 MEN1 (0.41) NPY5RMCHR1ADRA2AACACBACACA
Hydrochloric Acid SCHEMBL6459006 0.93 MEN1 (0.41) NPY5RMCHR1ADRA2AACACBACACA
SCHEMBL6867931 0.93 TP53 (0.46) NPY5RMCHR1ADRA2AKDM4ELMNA
SCHEMBL6867927 0.93 TP53 (0.46) NPY5RMCHR1ADRA2AKDM4ELMNA
SCHEMBL6868236 0.91 NPY5R (0.43) NPY5RMCHR1ADRA2AACACBACACA
SCHEMBL6868239 0.91 NPY5R (0.43) NPY5RMCHR1ADRA2AACACBACACA
SCHEMBL6867311 0.90 KDM4E (0.43) NPY5RMCHR1ADRA2AKDM4ELMNA

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