SCHEMBL21323059

SCHEMBL21323059

O=C(CCc1cc(Cl)cc(Cl)c1)N1CC2CN(C(=O)c3ccc4[nH]nnc4c3)CC2C1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 15/20 0.52
▸ ATXN2 Q99700 15/20 0.52
▸ KCNH2 Q12809 1/20 0.44
▸ DGAT2 Q96PD7 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL16962855 1.00 ENPP2 (0.52) ENPP2ATXN2KCNH2DGAT2HPGD
SCHEMBL21322925 0.88 KDM5C (0.43) ENPP2ATXN2HPGD
SCHEMBL16963777 0.88 KDM5C (0.43) ENPP2ATXN2HPGD
SCHEMBL16963764 0.85 KCNH2 (0.40) ENPP2ATXN2KCNH2HRH4
SCHEMBL16963648 0.85 ENPP2 (0.46) ENPP2ATXN2KCNH2DGAT2
SCHEMBL18540872 0.85 NAAA (0.45) ENPP2ATXN2DGAT2
SCHEMBL16962981 0.85 NAAA (0.45) ENPP2ATXN2DGAT2
SCHEMBL21323107 0.84 LSS (0.39) ENPP2ATXN2DGAT2
SCHEMBL21323349 0.84 ENPP2 (0.43) ENPP2ATXN2DGAT2HPGDHRH3
SCHEMBL16963841 0.84 LSS (0.39) ENPP2ATXN2DGAT2

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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