SCHEMBL21322991

SCHEMBL21322991

O=C(/C=C/c1ccc(OC(F)(F)F)cc1)N1CC2CN(C(=O)c3ccc4[nH]nnc4c3)CC2C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.51
▸ DGAT2 Q96PD7 1/20 0.51
▸ CA2 P00918 2/20 0.42
▸ STAT3 P40763 1/20 0.41
▸ GPR183 P32249 8/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ ATXN2 Q99700 3/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL16963775 1.00 ENPP2 (0.51) ENPP2DGAT2CA2STAT3GPR183
SCHEMBL16962289 1.00 ENPP2 (0.51) ENPP2DGAT2CA2STAT3GPR183
SCHEMBL16962292 1.00 ENPP2 (0.51) ENPP2DGAT2CA2STAT3GPR183
SCHEMBL16961631 1.00 ENPP2 (0.51) ENPP2DGAT2CA2STAT3GPR183
SCHEMBL17310769 1.00 ENPP2 (0.51) ENPP2DGAT2CA2STAT3GPR183
SCHEMBL16961635 1.00 ENPP2 (0.51) ENPP2DGAT2CA2STAT3GPR183
SCHEMBL22910807 0.95 ENPP2 (0.45) ENPP2DGAT2CA2STAT3GPR183
SCHEMBL18082354 0.95 ENPP2 (0.45) ENPP2DGAT2CA2STAT3GPR183
SCHEMBL17322750 0.94 ENPP2 (0.46) ENPP2DGAT2CA2STAT3GPR183
SCHEMBL21985821 0.94 ENPP2 (0.46) ENPP2DGAT2CA2STAT3GPR183

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
Send feedback