SCHEMBL21322875

SCHEMBL21322875

O=C(OCc1cc(Cl)cc(OC(F)(F)F)c1)N1CC2CN(C(=O)c3ccc4[nH]nnc4c3)CC2C1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 18/20 0.62
▸ DGAT2 Q96PD7 1/20 0.62
▸ ATXN2 Q99700 15/20 0.53

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
SCHEMBL16962850 1.00 ENPP2 (0.62) ENPP2DGAT2ATXN2
SCHEMBL21313892 0.91 ENPP2 (0.63) ENPP2DGAT2ATXN2
SCHEMBL16962631 0.91 ENPP2 (0.63) ENPP2DGAT2ATXN2
SCHEMBL17310731 0.90 ENPP2 (0.53) ENPP2DGAT2ATXN2
SCHEMBL17310813 0.90 ENPP2 (0.53) ENPP2DGAT2ATXN2
SCHEMBL18552686 0.90 ENPP2 (0.53) ENPP2DGAT2ATXN2
SCHEMBL16962872 0.90 ENPP2 (0.53) ENPP2DGAT2ATXN2
SCHEMBL16962874 0.90 ENPP2 (0.53) ENPP2DGAT2ATXN2
SCHEMBL17311036 0.89 ENPP2 (0.49) ENPP2DGAT2ATXN2
SCHEMBL21313956 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
Send feedback