SCHEMBL16129744

SCHEMBL16129744

O=C(OCc1cc(Cl)cc(C(F)(F)F)c1)N1CCn2nc(C(=O)N3CCC(O)CC3)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 18/20 0.43
▸ ATXN2 Q99700 1/20 0.43
▸ KCNH2 Q12809 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ RHOC P08134 1/20 0.36
▸ RHOA P61586 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
SCHEMBL16129896 0.94 ENPP2 (0.37) ENPP2ATXN2TRPV1RHOCRHOA
SCHEMBL16129902 0.89 ENPP2 (0.46) ENPP2ATXN2KCNH2
SCHEMBL16094293 0.89 SCN9A (0.37) ENPP2ATXN2TRPV1RHOA
SCHEMBL16129775 0.88 ENPP2 (0.45) ENPP2ATXN2KCNH2
SCHEMBL16129884 0.88 ENPP2 (0.43) ENPP2ATXN2KCNH2
SCHEMBL16129894 0.88 ENPP2 (0.43) ENPP2ATXN2KCNH2
SCHEMBL16100530 0.87 ENPP2 (0.46) ENPP2ATXN2KCNH2
SCHEMBL16129899 0.86 HPGD (0.41) ENPP2ATXN2RHOCRHOA
SCHEMBL16129850 0.86 SCN9A (0.38) ENPP2ATXN2RHOCRHOA
SCHEMBL16129763 0.86 ENPP2 (0.43) ENPP2ATXN2KCNH2

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
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO disclosed
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