SCHEMBL16129884

SCHEMBL16129884

NC1CN(C(=O)c2cc3n(n2)CCN(C(=O)OCc2cc(Cl)cc(C(F)(F)F)c2)C3)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 17/20 0.43
▸ ATXN2 Q99700 1/20 0.43
▸ FAAH O00519 2/20 0.37
▸ HTR2A P28223 1/20 0.35
▸ ABAT P80404 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ SCN9A Q15858 1/20 0.33

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
SCHEMBL16129834 0.94 ENPP2 (0.39) ENPP2ATXN2HTR2AABATSIGMAR1
SCHEMBL16129763 0.89 ENPP2 (0.43) ENPP2ATXN2FAAHHTR2AABAT
SCHEMBL16129894 0.89 ENPP2 (0.43) ENPP2ATXN2FAAHHTR2AABAT
SCHEMBL16129744 0.88 ENPP2 (0.43) ENPP2ATXN2KCNH2
SCHEMBL16129902 0.87 ENPP2 (0.46) ENPP2ATXN2KCNH2SCN9A
SCHEMBL16100530 0.87 ENPP2 (0.46) ENPP2ATXN2FAAHKCNH2
SCHEMBL16129775 0.86 ENPP2 (0.45) ENPP2ATXN2KCNH2
SCHEMBL16129850 0.86 SCN9A (0.38) ENPP2ATXN2HTR2AABATSIGMAR1
SCHEMBL16129768 0.86 ENPP2 (0.39) ENPP2ATXN2HTR2AABATSIGMAR1
SCHEMBL16129754 0.85 ENPP2 (0.39) 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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