SCHEMBL6920702

SCHEMBL6920702

O=C(NCc1cc(Cl)ccc1-n1cncn1)[C@@H]1C[C@@H](F)CN1C(=O)[C@H]1CCCN1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.43
CFD P00746 5/20 0.39
CYP3A4 P08684 1/20 0.38
F10 P00742 3/20 0.37
PLAT P00750 3/20 0.37
PRSS1 P07477 3/20 0.37
PRSS3 P35030 3/20 0.37
PRSS2 P07478 2/20 0.37
CCR4 P51679 2/20 0.36
HTR2C P28335 1/20 0.36
F9 P00740 1/20 0.36
F11 P03951 1/20 0.36
KLKB1 P03952 1/20 0.36
F7 P08709 1/20 0.36
TBXA2R P21731 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
SCHEMBL6920320 0.98 F2 (0.43) F2CFDCYP3A4F10PLAT
SCHEMBL6920326 0.98 F2 (0.43) F2CFDCYP3A4F10PLAT
SCHEMBL6919181 0.89 F2 (0.41) F2CFDCYP3A4F10PLAT
SCHEMBL6917428 0.89 F2 (0.41) F2CFDCYP3A4F10PLAT
SCHEMBL6078060 0.85 F2 (0.49) F2F10PLATPRSS1PRSS3
SCHEMBL6919773 0.85 F2 (0.40) F2CFDCYP3A4F10PLAT
SCHEMBL6919836 0.82 ALDH1A1 (0.55) F2CYP3A4F10PRSS1PRSS3
SCHEMBL6920944 0.81 F2 (0.50) F2CFDCYP3A4F10PLAT
SCHEMBL6920939 0.81 F2 (0.50) F2CFDCYP3A4F10PLAT
SCHEMBL6921244 0.81 F2 (0.47) F2CFDCYP3A4F10PRSS1

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 disclosed