SCHEMBL21323239

SCHEMBL21323239

O=C(COc1ccc(OC(F)(F)F)cc1Cl)N1CC2CN(C(=O)c3ccc4[nH]nnc4c3)CC2C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.49
▸ DGAT2 Q96PD7 1/20 0.49
▸ MRGPRX4 Q96LA9 2/20 0.40
▸ ATXN2 Q99700 7/20 0.39
▸ SCN3A Q9NY46 1/20 0.37
▸ KCNK3 O14649 1/20 0.37
▸ KCNK9 Q9NPC2 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ FOXO1 Q12778 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
SCHEMBL16963314 1.00 ENPP2 (0.49) ENPP2DGAT2MRGPRX4ATXN2SCN3A
SCHEMBL16963317 1.00 ENPP2 (0.49) ENPP2DGAT2MRGPRX4ATXN2SCN3A
SCHEMBL16962689 0.90 ENPP2 (0.49) ENPP2DGAT2ATXN2TLR9TLR8
SCHEMBL21323020 0.90 ENPP2 (0.49) ENPP2DGAT2ATXN2TLR9TLR8
SCHEMBL16962688 0.90 ENPP2 (0.49) ENPP2DGAT2ATXN2TLR9TLR8
SCHEMBL21323007 0.89 ENPP2 (0.56) ENPP2DGAT2ATXN2
SCHEMBL16962303 0.89 ENPP2 (0.56) ENPP2DGAT2ATXN2
SCHEMBL16962301 0.89 ENPP2 (0.56) ENPP2DGAT2ATXN2
SCHEMBL21323106 0.88 ENPP2 (0.47) ENPP2DGAT2ATXN2KCNK3KCNK9
SCHEMBL16963395 0.88 ENPP2 (0.47) ENPP2DGAT2ATXN2KCNK3KCNK9

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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