SCHEMBL21323076

SCHEMBL21323076

O=C(OCc1ccc(OC(F)(F)C(F)F)cc1)N1CC2CN(C(=O)c3ccc4[nH]nnc4c3)CC2C1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 17/20 0.66
▸ DGAT2 Q96PD7 1/20 0.66
▸ ATXN2 Q99700 16/20 0.42
▸ CA2 P00918 1/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ ABAT P80404 1/20 0.38
▸ SIGMAR1 Q99720 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
SCHEMBL16963831 1.00 ENPP2 (0.66) ENPP2DGAT2ATXN2CA2HTR2A
SCHEMBL16963535 0.92 ENPP2 (0.77) ENPP2DGAT2ATXN2CA2HTR2A
SCHEMBL16962686 0.92 ENPP2 (0.77) ENPP2DGAT2ATXN2CA2HTR2A
SCHEMBL21322972 0.92 ENPP2 (0.77) ENPP2DGAT2ATXN2CA2HTR2A
SCHEMBL18687399 0.92 ENPP2 (0.77) ENPP2DGAT2ATXN2CA2HTR2A
SCHEMBL16962522 0.89 ENPP2 (0.59) ENPP2DGAT2ATXN2HTR2AABAT
SCHEMBL22043347 0.87 ENPP2 (0.62) ENPP2DGAT2ATXN2HTR2AABAT
SCHEMBL16963605 0.87 ENPP2 (0.62) ENPP2DGAT2ATXN2HTR2AABAT
SCHEMBL16759782 0.87 ENPP2 (0.69) ENPP2DGAT2ATXN2CA2HTR2A
SCHEMBL16963821 0.87 ENPP2 (0.61) ENPP2DGAT2ATXN2HTR2AABAT

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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