SCHEMBL16129772

SCHEMBL16129772

CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3n(n2)CCN(C(=O)OCc2cc(Cl)cc(C(F)(F)F)c2)C3)C(C)(C)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ATXN2 Q99700 7/20 0.43
▸ ENPP2 Q13822 6/20 0.43
▸ F2RL1 P55085 2/20 0.41
▸ TACR1 P25103 2/20 0.38
▸ GPR119 Q8TDV5 4/20 0.36
▸ SPR P35270 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ STS P08842 1/20 0.33
▸ CETP P11597 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
SCHEMBL16129761 0.95 F2RL1 (0.43) ATXN2ENPP2F2RL1TACR1GPR119
SCHEMBL16129759 0.90 TACR1 (0.41) ATXN2ENPP2F2RL1TACR1GPR119
SCHEMBL16129775 0.90 ENPP2 (0.45) ATXN2ENPP2TACR1GPR119MAPT
SCHEMBL16099936 0.87 ENPP2 (0.44) ATXN2ENPP2TACR1FAAH
SCHEMBL16129890 0.85 ENPP2 (0.44) ATXN2ENPP2TACR1FAAH
SCHEMBL16129897 0.84 TACR1 (0.47) ATXN2ENPP2TACR1GPR119MAPT
SCHEMBL16129754 0.84 ENPP2 (0.39) ATXN2ENPP2TACR1GPR119STS
SCHEMBL16100530 0.82 ENPP2 (0.46) ATXN2ENPP2TACR1FAAH
SCHEMBL16100799 0.82 ENPP2 (0.43) ATXN2ENPP2TACR1FAAH
SCHEMBL16129736 0.81 ENPP2 (0.43) ATXN2ENPP2TACR1

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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