SCHEMBL21323007

SCHEMBL21323007

O=C(COc1ccc(OC(F)(F)F)cc1)N1CC2CN(C(=O)c3ccc4[nH]nnc4c3)CC2C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.56
▸ DGAT2 Q96PD7 1/20 0.56
▸ ATXN2 Q99700 5/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.41
▸ MAPK8 P45983 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ LIPE Q05469 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ GHSR Q92847 1/20 0.38
▸ HTR2B P41595 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPK7 Q13164 5/20 0.37

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
SCHEMBL16962303 1.00 ENPP2 (0.56) ENPP2DGAT2ATXN2HRH3MAPK8
SCHEMBL16962301 1.00 ENPP2 (0.56) ENPP2DGAT2ATXN2HRH3MAPK8
SCHEMBL16759847 0.94 ENPP2 (0.50) ENPP2DGAT2ATXN2HRH3MAPK8
SCHEMBL22911008 0.94 ENPP2 (0.50) ENPP2DGAT2ATXN2HRH3MAPK8
SCHEMBL17310934 0.94 ENPP2 (0.53) ENPP2DGAT2ATXN2HRH3LIPE
SCHEMBL17310935 0.94 ENPP2 (0.53) ENPP2DGAT2ATXN2HRH3LIPE
SCHEMBL16963420 0.94 ENPP2 (0.53) ENPP2DGAT2ATXN2HRH3LIPE
SCHEMBL16963706 0.92 ENPP2 (0.50) ENPP2DGAT2ATXN2MAPK8MAPK10
SCHEMBL21323020 0.89 ENPP2 (0.49) ENPP2DGAT2ATXN2MAPK8MAPK10
SCHEMBL21323239 0.89 ENPP2 (0.49) 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 disclosed
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