SCHEMBL28111673

SCHEMBL28111673

CC(=O)ONc1cc(C(N)CCC2CC2)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.35
KLKB1 P03952 12/20 0.34
DPP4 P27487 3/20 0.33
ACACA Q13085 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL28111098 0.87 ACACB (0.36) ACACBKLKB1
SCHEMBL28111162 0.86 ACACB (0.37) ACACBKLKB1ACACA
SCHEMBL17064477 0.84 KLKB1 (0.40) KLKB1DPP4
SCHEMBL28529921 0.75 PSEN1 (0.35) DPP4
SCHEMBL28234892 0.74 DPP4 (0.34) ACACBKLKB1DPP4DPP9DPP7
Ammonia Solution, Strong SCHEMBL28234890 0.71 DPP4 (0.34) DPP4DPP9DPP7
SCHEMBL24222041 0.71 OPRL1 (0.43) DPP4DPP9DPP7
SCHEMBL17064969 0.71 KLKB1 (0.39) KLKB1
SCHEMBL17064820 0.70 KLKB1 (0.38) KLKB1
SCHEMBL17073498 0.69 KLKB1 (0.38) KLKB1

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
CN-106257976-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2016-12-28 CN disclosed