SCHEMBL6919764

SCHEMBL6919764

CC(C)(C1CC1)[C@@H](N)C(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1cc(Cl)ccc1-n1cncn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.47
CYP3A4 P08684 3/20 0.43
CFD P00746 4/20 0.40
PRSS1 P07477 8/20 0.40
F10 P00742 7/20 0.40
PRSS3 P35030 7/20 0.40
PRSS2 P07478 6/20 0.40
F7 P08709 5/20 0.39
F9 P00740 1/20 0.39
PLAT P00750 1/20 0.39
F11 P03951 1/20 0.39
KLKB1 P03952 1/20 0.39
TBXA2R P21731 1/20 0.39
F12 P00748 4/20 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
SCHEMBL6921244 0.93 F2 (0.47) F2CYP3A4CFDPRSS1F10
SCHEMBL6921206 0.89 F2 (0.49) F2CYP3A4CFDPRSS1F10
SCHEMBL6920944 0.86 F2 (0.50) F2CYP3A4CFDPRSS1F10
SCHEMBL6920939 0.86 F2 (0.50) F2CYP3A4CFDPRSS1F10
SCHEMBL6919688 0.86 F2 (0.52) F2CYP3A4CFDPRSS1F10
SCHEMBL6922167 0.85 F2 (0.52) F2CYP3A4CFDPRSS1F10
SCHEMBL6919204 0.84 F2 (0.48) F2CYP3A4CFDPRSS1F10
SCHEMBL6917198 0.84 F2 (0.52) F2CYP3A4CFDPRSS1F10
SCHEMBL6919213 0.84 F2 (0.48) F2CYP3A4CFDPRSS1F10
SCHEMBL6919763 0.84 F2 (0.49) F2CYP3A4CFDPRSS1F10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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