SCHEMBL6919213

SCHEMBL6919213

CC1(C[C@@H](N)C(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cc(Cl)ccc2-n2cncn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.48
CFD P00746 5/20 0.40
CYP3A4 P08684 3/20 0.39
F12 P00748 1/20 0.39
PRSS1 P07477 2/20 0.38
F9 P00740 1/20 0.38
F10 P00742 1/20 0.38
PLAT P00750 1/20 0.38
F11 P03951 1/20 0.38
KLKB1 P03952 1/20 0.38
F7 P08709 1/20 0.38
TBXA2R P21731 1/20 0.38
PRSS3 P35030 1/20 0.38
P2RX7 Q99572 2/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL6919204 1.00 F2 (0.48) F2CFDCYP3A4F12PRSS1
SCHEMBL6919763 0.92 F2 (0.49) F2CFDCYP3A4F12PRSS1
SCHEMBL6921206 0.88 F2 (0.49) F2CFDCYP3A4F12PRSS1
SCHEMBL6919688 0.87 F2 (0.52) F2CFDCYP3A4PRSS1F9
SCHEMBL6918796 0.87 F2 (0.48) F2CYP3A4F12PRSS1F9
SCHEMBL6918799 0.87 F2 (0.48) F2CYP3A4F12PRSS1F9
SCHEMBL6921244 0.86 F2 (0.47) F2CFDCYP3A4F12PRSS1
SCHEMBL6919926 0.86 F2 (0.48) F2CFDCYP3A4F12PRSS1
SCHEMBL6915116 0.86 CFD (0.41) CFD
SCHEMBL6922167 0.86 F2 (0.52) F2CFDCYP3A4F12PRSS1

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