SCHEMBL17793695

SCHEMBL17793695

CC(C)(C)OC(=O)N1CC2CCC(C1)N2c1cc(C(F)(F)F)ccn1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.46
▸ GPR119 Q8TDV5 4/20 0.44
▸ SYK P43405 2/20 0.44
▸ RET P07949 1/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.42
▸ TACR1 P25103 3/20 0.42
▸ USP30 Q70CQ3 1/20 0.41
▸ ACACB O00763 2/20 0.41
▸ STS P08842 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ RORC P51449 1/20 0.40
▸ MAPT P10636 1/20 0.39

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
SCHEMBL17793706 0.83 STS (0.43) GPR119SYKRETTACR1ACACB
SCHEMBL17793699 0.82 RET (0.44) GPR119SYKRETTACR1STS
SCHEMBL15282654 0.82 HRH3 (0.48) HRH3GPR119RETFFAR4USP30
SCHEMBL17793703 0.81 IRAK4 (0.49) HRH3GPR119RETUSP30
SCHEMBL31254496 0.80 GPR119 (0.62) GPR119RETUSP30
SCHEMBL26127089 0.79 HRH3 (0.60) HRH3GPR119SYKFFAR4MAPT
SCHEMBL24962301 0.79 GPR119 (0.57) GPR119RETTACR1STSRORC
SCHEMBL3788239 0.79 MAP3K12 (0.47) HRH3GPR119SYKTACR1STS
SCHEMBL25154184 0.79 GPR119 (0.53) HRH3GPR119SYKFFAR4USP30
SCHEMBL25154182 0.79 GPR119 (0.53) HRH3GPR119SYKFFAR4USP30

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-2016084866-A1 NOVEL DIAZABICYCLO DERIVATIVE 持田製薬株式会社 2016-06-02 — — WO disclosed
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