SCHEMBL2828771

SCHEMBL2828771

Cc1nc(OC(=O)Nc2ccc(O)c(C)n2)c(Nc2cncnc2)s1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.55
NTRK1 P04629 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TNF P01375 1/20 0.30
IL1B P01584 1/20 0.30
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL2829034 0.89 GRM5 (0.71) GRM5HSD17B10
SCHEMBL2829267 0.84 GRM5 (0.55) GRM5NPC1RAB9AKMT2A
SCHEMBL2830257 0.83 GRM5 (0.50) GRM5NTRK1KMT2A
SCHEMBL2829877 0.83 GRM5 (0.45) GRM5KMT2A
SCHEMBL2826336 0.82 GRM5 (0.70) GRM5NPC1RAB9A
SCHEMBL2826292 0.82 GRM5 (0.44) GRM5NTRK1
SCHEMBL2828397 0.81 GRM5 (0.58) GRM5NTRK1
SCHEMBL2827806 0.80 GRM5 (0.44) GRM5NTRK1NPC1RAB9A
SCHEMBL2833093 0.77 GRM5 (0.69) GRM5KMT2A
SCHEMBL2830798 0.77 GRM5 (0.44) GRM5NPC1RAB9A

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-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP claimed