SCHEMBL2012693

SCHEMBL2012693

Fc1ccc(N2CCCc3nc(COc4ccccc4)sc3C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.57
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GRM3 Q14832 1/20 0.41

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
SCHEMBL2016473 0.94 GRM5 (0.61) GRM5NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL156464 0.81 GRM5 (0.52) GRM5
SCHEMBL2011738 0.81 GRM5 (0.49) GRM5
SCHEMBL158425 0.78 GRM5 (0.53) GRM5NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL2013895 0.77 GRM5 (0.88) GRM5GRM3
SCHEMBL2009451 0.74 GRM5 (0.61) GRM5GRM3
SCHEMBL2012403 0.72 GRM5 (1.00) GRM5
SCHEMBL157209 0.71 GRM5 (0.57) GRM5
SCHEMBL155658 0.70 GRM5 (0.53) GRM5
SCHEMBL158128 0.70 GRM5 (0.48) GRM5NPC1RAB9ASMN1; SMN2

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
WO-2011073339-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 WO disclosed