SCHEMBL2828469

SCHEMBL2828469

Cc1cc(NC(=O)Oc2nc(C)sc2NCC2CCOCC2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 13/20 0.41
GRM5 P41594 2/20 0.41
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
PORCN Q9H237 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
SCHEMBL2824596 0.85 SMARCA2 (0.43) GRM5SMARCA2SMARCA4
SCHEMBL2828525 0.81 GRM5 (0.47) GRM5SMARCA2SMARCA4PORCN
SCHEMBL2827141 0.79 GRM5 (0.47) GRM5SMARCA2SMARCA4IKBKETBK1
SCHEMBL2828553 0.77 PIK3C3 (0.38) GRM5
SCHEMBL2829460 0.75 GRM5 (0.53) GRM5PORCN
SCHEMBL2826248 0.75 SMARCA2 (0.56) GRM5SMARCA2SMARCA4PORCN
SCHEMBL2826716 0.74 GRM5 (0.50) GRM5SMARCA2SMARCA4PORCN
SCHEMBL2833093 0.74 GRM5 (0.69) GRM5SMARCA2SMARCA4PORCN
SCHEMBL2826997 0.74 GRM5 (0.44) GRM5SMARCA2SMARCA4IKBKETBK1
SCHEMBL2826446 0.74 GRM5 (0.46) GRM5SMARCA2SMARCA4IKBKETBK1

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