SCHEMBL16129775

SCHEMBL16129775

CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3n(n2)CCN(C(=O)OCc2cc(Cl)cc(C(F)(F)F)c2)C3)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.45
▸ ATXN2 Q99700 2/20 0.45
▸ GPR119 Q8TDV5 3/20 0.44
▸ TACR1 P25103 3/20 0.42
▸ STS P08842 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CETP P11597 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL16129897 0.94 TACR1 (0.47) ENPP2ATXN2GPR119TACR1STS
SCHEMBL16129754 0.90 ENPP2 (0.39) ENPP2ATXN2GPR119TACR1STS
SCHEMBL16129772 0.90 ATXN2 (0.43) ENPP2ATXN2GPR119TACR1STS
SCHEMBL16129902 0.89 ENPP2 (0.46) ENPP2ATXN2TACR1KCNH2
SCHEMBL16129744 0.88 ENPP2 (0.43) ENPP2ATXN2KCNH2
SCHEMBL16129736 0.87 ENPP2 (0.43) ENPP2ATXN2TACR1POLBMEN1
SCHEMBL16100530 0.87 ENPP2 (0.46) ENPP2ATXN2TACR1MEN1KMT2A
SCHEMBL16129884 0.86 ENPP2 (0.43) ENPP2ATXN2KCNH2
SCHEMBL16101985 0.85 ENPP2 (0.43) ENPP2ATXN2TACR1POLBMEN1
SCHEMBL16129893 0.85 TACR1 (0.39) ENPP2ATXN2TACR1MEN1KMT2A

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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