SCHEMBL6919688

SCHEMBL6919688

N[C@H](CC1CC1)C(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1cc(Cl)ccc1-n1cncn1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.52
CFD P00746 11/20 0.44
CYP3A4 P08684 2/20 0.39
F9 P00740 1/20 0.39
F10 P00742 1/20 0.39
PLAT P00750 1/20 0.39
F11 P03951 1/20 0.39
KLKB1 P03952 1/20 0.39
PRSS1 P07477 1/20 0.39
F7 P08709 1/20 0.39
TBXA2R P21731 1/20 0.39
PRSS3 P35030 1/20 0.39
DPP4 P27487 1/20 0.38

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
SCHEMBL6922167 0.97 F2 (0.52) F2CFDCYP3A4F9F10
SCHEMBL6917198 0.96 F2 (0.52) F2CFDCYP3A4F9F10
SCHEMBL6919926 0.93 F2 (0.48) F2CFDCYP3A4F9F10
SCHEMBL6921206 0.89 F2 (0.49) F2CFDCYP3A4F9F10
SCHEMBL6919763 0.88 F2 (0.49) F2CFDCYP3A4F9F10
SCHEMBL6920939 0.88 F2 (0.50) F2CFDCYP3A4F9F10
SCHEMBL6920944 0.88 F2 (0.50) F2CFDCYP3A4F9F10
SCHEMBL6919213 0.87 F2 (0.48) F2CFDCYP3A4F9F10
SCHEMBL6919204 0.87 F2 (0.48) F2CFDCYP3A4F9F10
SCHEMBL6921244 0.87 F2 (0.47) F2CFDCYP3A4F9F10

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-2004032834-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2004-04-22 WO claimed