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SCHEMBL470805

SCHEMBL470805

C[C@H](Oc1cnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](c3cc(F)c(F)cc3F)C2)nc1)C1CCN(c2nnn([C@H]3CCOC3)n2)CC1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.32
▸ DPP8 Q6V1X1 3/20 0.32
▸ DPP7 Q9UHL4 3/20 0.32
▸ DPP9 Q86TI2 2/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ PIK3R1 P27986 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ CKS1B P61024 1/20 0.31
▸ SKP1 P63208 1/20 0.31
▸ SKP2 Q13309 1/20 0.31
▸ MAP3K5 Q99683 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ RET P07949 4/20 0.30
▸ GRM4 Q14833 1/20 0.30

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
SCHEMBL459780 0.89 ACACB (0.32) DPP4DPP8DPP7DPP9PIK3R1
SCHEMBL12064617 0.87 DPP4 (0.31) DPP4
SCHEMBL12064854 0.87 DPP4 (0.31) DPP4
SCHEMBL12064592 0.84 NR1H2 (0.31) DPP4DPP8DPP7DPP9NR1H2
SCHEMBL12064985 0.81 DPP4 (0.33) DPP4DPP8DPP7DPP9NR1H2
SCHEMBL458009 0.81 DPP4 (0.35) DPP4DPP8DPP7DPP9NR1H2
SCHEMBL470798 0.80 DPP4 (0.32) DPP4DPP8DPP7DPP9NR1H2
SCHEMBL470586 0.80 — —
SCHEMBL470608 0.80 NTRK1 (0.37) NR1H2CKS1BSKP1SKP2MAP3K5
SCHEMBL457627 0.80 DPP4 (0.34) DPP4DPP8DPP7DPP9NR1H2

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-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 — — WO disclosed