SCHEMBL8303950

SCHEMBL8303950

Fc1cc(F)cc(C#CCBr)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.35
NOS1 P29475 2/20 0.31
CHRM2 P08172 2/20 0.31
CHRM1 P11229 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL28412023 0.77 GRM5 (0.35) GRM5
SCHEMBL19578703 0.76 GRM5 (0.39) GRM5NOS1CHRM2CHRM1CA12
SCHEMBL104471 0.76 FFAR1 (0.40) GRM5CHRM2CHRM1
SCHEMBL6786135 0.76 ALDH1A1 (0.38) GRM5NOS1CHRM2CHRM1CA12
SCHEMBL1067293 0.72 GRM5 (0.41) GRM5CHRM2CHRM1CA12CA1
SCHEMBL5894329 0.71 IDO1 (0.35)
SCHEMBL24286742 0.67 GRM5 (0.38) GRM5CA12CA1CA9
SCHEMBL21727247 0.67 GRM5 (0.38) GRM5CA12CA1CA9
SCHEMBL8005775 0.67 GRM5 (0.42) GRM5CA12CA1CA9
SCHEMBL6508646 0.67 APP (0.48) CA12CA1CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749430-B1 THIAZOLIDINEDIONE DERIVATIVES AS ANTI-HYPERGLYCEMIC AGENTS AMERICAN HOME PROD (US) 1999-08-25 EP disclosed
US-5605918-A SUBSTITUTED THIAZOLIDINE-2,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-02-25 US disclosed
WO-1995024400-A1 THIAZOLIDINEDIONE DERIVATIVES AS ANTI-HYPERGLYCEMIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-09-14 WO disclosed