SCHEMBL21323205

SCHEMBL21323205

O=C(OCc1ccc(OC(F)(F)F)c(F)c1)N1CC2CN(C(=O)c3ccc4[nH]nnc4c3)CC2C1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 15/20 0.61
▸ DGAT2 Q96PD7 1/20 0.61
▸ ATXN2 Q99700 14/20 0.43
▸ HTR2A P28223 1/20 0.37
▸ ABAT P80404 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.36

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
SCHEMBL16962386 1.00 ENPP2 (0.61) ENPP2DGAT2ATXN2HTR2AABAT
SCHEMBL16963043 0.93 ENPP2 (0.61) ENPP2DGAT2ATXN2HTR2AABAT
SCHEMBL16962963 0.89 ENPP2 (0.50) ENPP2DGAT2ATXN2ATMPTGDR2
SCHEMBL18687399 0.88 ENPP2 (0.77) ENPP2DGAT2ATXN2HTR2AABAT
SCHEMBL16962686 0.88 ENPP2 (0.77) ENPP2DGAT2ATXN2HTR2AABAT
SCHEMBL21322972 0.88 ENPP2 (0.77) ENPP2DGAT2ATXN2HTR2AABAT
SCHEMBL16963535 0.88 ENPP2 (0.77) ENPP2DGAT2ATXN2HTR2AABAT
SCHEMBL21323110 0.87 ENPP2 (0.46) ENPP2DGAT2ATXN2SCN3A
SCHEMBL16962785 0.87 ENPP2 (0.46) ENPP2DGAT2ATXN2SCN3A
SCHEMBL16962387 0.86 ENPP2 (0.45) 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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