SCHEMBL21322945

SCHEMBL21322945

O=C(OCc1cc(Cl)cc(Cl)c1)N1CCC2CN(C(=O)c3ccc4[nH]nnc4c3)C[C@H]2CC1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 19/20 0.55
ATXN2 Q99700 14/20 0.55
DGAT2 Q96PD7 1/20 0.46

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
SCHEMBL17310960 1.00 ENPP2 (0.55) ENPP2ATXN2DGAT2
SCHEMBL17310962 1.00 ENPP2 (0.55) ENPP2ATXN2DGAT2
SCHEMBL16962987 0.97 ENPP2 (0.52) ENPP2ATXN2DGAT2
SCHEMBL16962579 0.97 ENPP2 (0.52) ENPP2ATXN2DGAT2
SCHEMBL21313980 0.97 ENPP2 (0.52) ENPP2ATXN2DGAT2
SCHEMBL16963049 0.97 ENPP2 (0.52) ENPP2ATXN2DGAT2
SCHEMBL16963120 0.97 ENPP2 (0.52) ENPP2ATXN2DGAT2
SCHEMBL21323289 0.96 ENPP2 (0.55) ENPP2ATXN2DGAT2
SCHEMBL17310763 0.96 ENPP2 (0.55) ENPP2ATXN2DGAT2
SCHEMBL17310762 0.96 ENPP2 (0.55) ENPP2ATXN2DGAT2

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-2900669-B1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES HOFFMANN LA ROCHE (CH) 2019-09-04 EP disclosed