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SCHEMBL16129754

SCHEMBL16129754

CC(C)(C)OC(=O)N1C2CCC1CN(C(=O)c1cc3n(n1)CCN(C(=O)OCc1cc(Cl)cc(C(F)(F)F)c1)C3)C2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.39
▸ ATXN2 Q99700 1/20 0.39
▸ CETP P11597 2/20 0.37
▸ GPR119 Q8TDV5 3/20 0.36
▸ TACR1 P25103 3/20 0.36
▸ STS P08842 2/20 0.36
▸ NR3C1 P04150 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ USP30 Q70CQ3 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
SCHEMBL16129773 0.95 TACR1 (0.40) ENPP2ATXN2CETPGPR119TACR1
SCHEMBL16129775 0.90 ENPP2 (0.45) ENPP2ATXN2CETPGPR119TACR1
SCHEMBL16129776 0.89 TACR1 (0.41) ENPP2ATXN2CETPGPR119TACR1
SCHEMBL16129771 0.86 TACR1 (0.42) ENPP2CETPGPR119TACR1STS
SCHEMBL16129884 0.85 ENPP2 (0.43) ENPP2ATXN2KCNH2
SCHEMBL16129894 0.85 ENPP2 (0.43) ENPP2ATXN2KCNH2
SCHEMBL16129897 0.84 TACR1 (0.47) ENPP2ATXN2GPR119TACR1STS
SCHEMBL16129744 0.84 ENPP2 (0.43) ENPP2ATXN2KCNH2
SCHEMBL16129772 0.84 ATXN2 (0.43) ENPP2ATXN2CETPGPR119TACR1
SCHEMBL16129763 0.83 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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