SCHEMBL458009

SCHEMBL458009

C[C@H](Oc1cnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](c3cc(F)c(F)cc3F)C2)nc1)C1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.35
DPP8 Q6V1X1 5/20 0.35
DPP7 Q9UHL4 5/20 0.35
DPP9 Q86TI2 4/20 0.35
GRM4 Q14833 1/20 0.34
NR1H2 P55055 1/20 0.33
ACACB O00763 2/20 0.33
MAP3K5 Q99683 2/20 0.32
GPR119 Q8TDV5 2/20 0.31
KDM1A O60341 1/20 0.31
RET P07949 3/20 0.31
F2R P25116 1/20 0.30
CYP2D6 P10635 1/20 0.30
KCNH2 Q12809 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
SCHEMBL470601 0.92 NTRK1 (0.38) GRM4NR1H2ACACBRETF2R
SCHEMBL470550 0.86 DPP4 (0.35) DPP4DPP8DPP7DPP9GRM4
SCHEMBL457627 0.86 DPP4 (0.34) DPP4DPP8DPP7DPP9GRM4
SCHEMBL458011 0.86 ACACB (0.35) DPP4DPP8DPP7DPP9ACACB
SCHEMBL458444 0.85 RET (0.32) GRM4RET
SCHEMBL458442 0.85 RET (0.32) GRM4RET
SCHEMBL14730264 0.84 HPGDS (0.38) DPP4DPP8DPP7DPP9KDM1A
SCHEMBL12064985 0.83 DPP4 (0.33) DPP4DPP8DPP7DPP9GRM4
SCHEMBL6128140 0.82 GPR119 (0.36) DPP4DPP8DPP7DPP9NR1H2
SCHEMBL470798 0.81 DPP4 (0.32) 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