SCHEMBL16129776

SCHEMBL16129776

CC(C)(C)OC(=O)N1CC2CCC(C1)N2C(=O)c1cc2n(n1)CCN(C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 6/20 0.41
▸ STS P08842 1/20 0.39
▸ ENPP2 Q13822 3/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ ABAT P80404 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ CETP P11597 2/20 0.37
▸ GPR119 Q8TDV5 3/20 0.35
▸ NR3C1 P04150 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SPR P35270 1/20 0.34
▸ PREP P48147 1/20 0.33
▸ ATXN2 Q99700 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 0.94 TACR1 (0.40) TACR1STSENPP2HTR2AABAT
SCHEMBL16129777 0.91 TACR1 (0.41) TACR1STSENPP2HTR2AABAT
SCHEMBL16129754 0.89 ENPP2 (0.39) TACR1STSENPP2CETPGPR119
SCHEMBL16129897 0.88 TACR1 (0.47) TACR1STSENPP2GPR119MAPT
SCHEMBL16129904 0.87 GRM5 (0.37) TACR1ENPP2HTR2AABATSIGMAR1
SCHEMBL16129771 0.87 TACR1 (0.42) TACR1STSENPP2HTR2AABAT
SCHEMBL16129783 0.87 ENPP2 (0.39) TACR1ENPP2HTR2AABATSIGMAR1
SCHEMBL16129762 0.85 TACR1 (0.41) TACR1STSENPP2HTR2AABAT
SCHEMBL16129725 0.85 TACR1 (0.39) TACR1STSENPP2HTR2AABAT
SCHEMBL16129765 0.85 PDK1 (0.41) TACR1STSENPP2HTR2AABAT

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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