SCHEMBL2833178

SCHEMBL2833178

Cc1cc(NC(=O)Oc2nc(C)sc2Nc2ccc(C(F)(F)F)nc2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.48
PORCN Q9H237 2/20 0.38
SORT1 Q99523 1/20 0.38
SMARCA2 P51531 2/20 0.37
SMARCA4 P51532 2/20 0.37
HDAC4 P56524 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
SYK P43405 1/20 0.35
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34

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
SCHEMBL2828392 0.84 GRM5 (0.52) GRM5PORCNSORT1SMARCA2SMARCA4
SCHEMBL2830980 0.83 GRM5 (0.48) GRM5SORT1SYK
SCHEMBL2829105 0.83 GRM5 (0.42) GRM5PORCNSORT1SMARCA2SMARCA4
SCHEMBL2826714 0.83 GRM5 (0.70) GRM5PORCNSMARCA2SMARCA4
SCHEMBL2833093 0.82 GRM5 (0.69) GRM5PORCNSORT1SMARCA2SMARCA4
SCHEMBL2826716 0.82 GRM5 (0.50) GRM5PORCNSORT1SMARCA2SMARCA4
SCHEMBL2829934 0.82 GRM5 (0.52) GRM5PORCNSORT1SMARCA2SMARCA4
SCHEMBL2826248 0.81 SMARCA2 (0.56) GRM5PORCNSORT1SMARCA2SMARCA4
SCHEMBL2831334 0.81 GRM5 (0.54) GRM5PORCNSORT1SMARCA2SMARCA4
SCHEMBL2833088 0.81 GRM5 (0.56) GRM5PORCNSORT1SMARCA2SMARCA4

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