SCHEMBL16129763

SCHEMBL16129763

O=C(OCc1cc(Cl)cc(C(F)(F)F)c1)N1CCn2nc(C(=O)N3CC4CNCC4C3)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 15/20 0.43
▸ ATXN2 Q99700 2/20 0.43
▸ CHRNA4 P43681 2/20 0.39
▸ FAAH O00519 1/20 0.39
▸ HTR2A P28223 1/20 0.37
▸ ABAT P80404 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.34

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
SCHEMBL16129884 0.89 ENPP2 (0.43) ENPP2ATXN2FAAHHTR2AABAT
SCHEMBL16129894 0.89 ENPP2 (0.43) ENPP2ATXN2FAAHHTR2AABAT
SCHEMBL16129902 0.88 ENPP2 (0.46) ENPP2ATXN2SCN9AKCNH2
SCHEMBL16094211 0.88 ENPP2 (0.43) ENPP2ATXN2FAAHHTR2AABAT
SCHEMBL16129744 0.86 ENPP2 (0.43) ENPP2ATXN2KCNH2
SCHEMBL16100530 0.84 ENPP2 (0.46) ENPP2ATXN2FAAHKCNH2
SCHEMBL16129775 0.84 ENPP2 (0.45) ENPP2ATXN2KCNH2
SCHEMBL16129768 0.84 ENPP2 (0.39) ENPP2ATXN2HTR2AABATSIGMAR1
SCHEMBL16129852 0.84 ENPP2 (0.45) ENPP2ATXN2SCN9AKCNH2
SCHEMBL16129890 0.83 ENPP2 (0.44) ENPP2ATXN2FAAHKCNH2

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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