SCHEMBL21323097

SCHEMBL21323097

O=C(CCc1ccc(OC(F)(F)F)cc1)N1CC2CN(C(=O)c3ccc4[nH]nnc4c3)CC2C1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.57
▸ DGAT2 Q96PD7 1/20 0.57
▸ ATXN2 Q99700 4/20 0.56
▸ GPBAR1 Q8TDU6 4/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ LSS P48449 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ LIPE Q05469 3/20 0.37
▸ GHSR Q92847 1/20 0.37
▸ HTR2B P41595 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HRH3 Q9Y5N1 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
SCHEMBL16963383 1.00 ENPP2 (0.57) ENPP2DGAT2ATXN2GPBAR1MAPK8
SCHEMBL16963684 1.00 ENPP2 (0.57) ENPP2DGAT2ATXN2GPBAR1MAPK8
SCHEMBL16963033 1.00 ENPP2 (0.57) ENPP2DGAT2ATXN2GPBAR1MAPK8
SCHEMBL16759797 0.95 ENPP2 (0.56) ENPP2DGAT2ATXN2GPBAR1MAPK8
SCHEMBL22911027 0.95 ENPP2 (0.56) ENPP2DGAT2ATXN2GPBAR1MAPK8
SCHEMBL16963324 0.94 ENPP2 (0.55) ENPP2DGAT2ATXN2GPBAR1MAPK8
SCHEMBL17310877 0.94 ENPP2 (0.55) ENPP2DGAT2ATXN2GPBAR1MAPK8
SCHEMBL17310878 0.94 ENPP2 (0.55) ENPP2DGAT2ATXN2GPBAR1MAPK8
SCHEMBL16963244 0.89 ENPP2 (0.47) ENPP2DGAT2ATXN2KDM4EKMT2A
SCHEMBL21323023 0.89 ENPP2 (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590940-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) 2021-06-09 — — EP disclosed
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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