SCHEMBL21323317

SCHEMBL21323317

O=C(OCc1ccc(OCC(F)(F)F)cc1F)N1CCC2CN(C(=O)c3ccc4[nH]nnc4c3)CC2CC1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 18/20 0.47
▸ ATXN2 Q99700 16/20 0.47
▸ DGAT2 Q96PD7 1/20 0.45

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
SCHEMBL16962302 1.00 ENPP2 (0.47) ENPP2ATXN2DGAT2
SCHEMBL21323067 0.91 ENPP2 (0.53) ENPP2ATXN2DGAT2
SCHEMBL16963658 0.91 ENPP2 (0.53) ENPP2ATXN2DGAT2
SCHEMBL16963254 0.89 ENPP2 (0.55) ENPP2ATXN2DGAT2
SCHEMBL21323193 0.89 ATXN2 (0.40) ENPP2ATXN2DGAT2
SCHEMBL16963182 0.89 ATXN2 (0.40) ENPP2ATXN2DGAT2
SCHEMBL16962305 0.87 ENPP2 (0.44) ENPP2ATXN2DGAT2
SCHEMBL21323313 0.85 ENPP2 (0.47) ENPP2ATXN2DGAT2
SCHEMBL16963432 0.85 ENPP2 (0.47) ENPP2ATXN2DGAT2
SCHEMBL21322969 0.84 ENPP2 (0.61) 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
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