SCHEMBL6636049

SCHEMBL6636049

CCOC(=O)CN(c1ccc2nc(COc3ccc(C(=N)N)cc3)n(C)c2c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.57
PPARG P37231 11/20 0.44
PDE10A Q9Y233 1/20 0.43
F10 P00742 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 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
SCHEMBL6633896 0.94 F2 (0.65) F2PDE10AF10ITGB3ITGA2B
SCHEMBL6635937 0.88 PPARG (0.47) F2PPARGPDE10A
SCHEMBL6640819 0.85 F2 (0.76) F2PDE10AF10
SCHEMBL6636052 0.83 F2 (0.43) F2F10ITGB3ITGA2B
SCHEMBL6635191 0.83 F2 (0.44) F2PDE10AF10ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8029579 0.82 F2 (0.70) F2F10
SCHEMBL6634233 0.82 F2 (0.62) F2F10
SCHEMBL6638617 0.81 F2 (0.49) F2PPARGPDE10A
SCHEMBL6639400 0.81 F2 (0.63) F2F10
SCHEMBL6639091 0.81 F2 (0.84) F2PDE10A

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-1100795-B1 DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2004-06-09 EP disclosed