SCHEMBL21323067

SCHEMBL21323067

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 15/20 0.53
▸ DGAT2 Q96PD7 1/20 0.53
▸ ATXN2 Q99700 12/20 0.49
▸ LIPE Q05469 1/20 0.39
▸ HSD11B1 P28845 1/20 0.38
▸ BCL9 O00512 1/20 0.38
▸ CTNNB1 P35222 1/20 0.38

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
SCHEMBL16963658 1.00 ENPP2 (0.53) ENPP2DGAT2ATXN2LIPEHSD11B1
SCHEMBL16963187 0.94 ENPP2 (0.61) ENPP2DGAT2ATXN2LIPEBCL9
SCHEMBL21322969 0.94 ENPP2 (0.61) ENPP2DGAT2ATXN2LIPEBCL9
SCHEMBL21323317 0.91 ENPP2 (0.47) ENPP2DGAT2ATXN2
SCHEMBL16962302 0.91 ENPP2 (0.47) ENPP2DGAT2ATXN2
SCHEMBL17310807 0.88 ENPP2 (0.53) ENPP2DGAT2ATXN2LIPE
SCHEMBL17310812 0.88 ENPP2 (0.53) ENPP2DGAT2ATXN2LIPE
SCHEMBL17310808 0.88 ENPP2 (0.53) ENPP2DGAT2ATXN2LIPE
SCHEMBL16963660 0.87 ENPP2 (0.46) ENPP2DGAT2ATXN2HSD11B1BCL9
SCHEMBL16962380 0.87 ENPP2 (0.69) ENPP2DGAT2ATXN2LIPE

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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