SCHEMBL21323240

SCHEMBL21323240

Cc1cc(OC(F)(F)F)ccc1CCC(=O)N1CCC2CN(C(=O)c3ccc4[nH]nnc4c3)C[C@H]2CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.48
▸ ATXN2 Q99700 6/20 0.48
▸ DGAT2 Q96PD7 1/20 0.45
▸ MAPK7 Q13164 7/20 0.37
▸ FPR2 P25090 1/20 0.37
▸ LIPE Q05469 2/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ MGLL Q99685 1/20 0.35

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
SCHEMBL16962030 1.00 ENPP2 (0.48) ENPP2ATXN2DGAT2MAPK7FPR2
SCHEMBL21323238 1.00 ENPP2 (0.48) ENPP2ATXN2DGAT2MAPK7FPR2
SCHEMBL16963324 0.86 ENPP2 (0.55) ENPP2ATXN2DGAT2MAPK7LIPE
SCHEMBL17310878 0.86 ENPP2 (0.55) ENPP2ATXN2DGAT2MAPK7LIPE
SCHEMBL17310877 0.86 ENPP2 (0.55) ENPP2ATXN2DGAT2MAPK7LIPE
SCHEMBL21323023 0.86 ENPP2 (0.51) ENPP2ATXN2DGAT2LIPEHSD11B1
SCHEMBL16963143 0.86 ENPP2 (0.51) ENPP2ATXN2DGAT2LIPEHSD11B1
SCHEMBL16962449 0.85 EPHX2 (0.46) ENPP2ATXN2DGAT2LIPE
SCHEMBL22607355 0.84 ENPP2 (0.49) ENPP2ATXN2DGAT2FPR2LIPE
SCHEMBL16963182 0.83 ATXN2 (0.40) ENPP2ATXN2DGAT2LIPE

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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