SCHEMBL21313856

SCHEMBL21313856

N#Cc1cc(F)cc(COC(=O)N2C[C@@H]3CN(C(=O)c4ccc5[nH]nnc5c4)C[C@H]3C2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 15/20 0.49
▸ DGAT2 Q96PD7 1/20 0.49
▸ ATXN2 Q99700 13/20 0.41
▸ GRM5 P41594 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ ABAT P80404 1/20 0.36
▸ SIGMAR1 Q99720 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
SCHEMBL17311089 1.00 ENPP2 (0.49) ENPP2DGAT2ATXN2GRM5HTR2A
SCHEMBL17311088 1.00 ENPP2 (0.49) ENPP2DGAT2ATXN2GRM5HTR2A
SCHEMBL21313848 0.90 ENPP2 (0.52) ENPP2DGAT2ATXN2
SCHEMBL17310750 0.90 ENPP2 (0.52) ENPP2DGAT2ATXN2
SCHEMBL17310752 0.90 ENPP2 (0.52) ENPP2DGAT2ATXN2
SCHEMBL16963218 0.89 ENPP2 (0.54) ENPP2DGAT2ATXN2
SCHEMBL16962454 0.86 ENPP2 (0.53) ENPP2DGAT2ATXN2HTR2AABAT
SCHEMBL21313892 0.84 ENPP2 (0.63) ENPP2DGAT2ATXN2HTR2AABAT
SCHEMBL16962631 0.84 ENPP2 (0.63) ENPP2DGAT2ATXN2HTR2AABAT
SCHEMBL16962872 0.82 ENPP2 (0.53) ENPP2DGAT2ATXN2

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 claimed
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