SCHEMBL3830128

SCHEMBL3830128

NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(N3CCOCC3)c(C(F)(F)F)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 18/20 0.65
F2 P00734 2/20 0.56
F10 P00742 2/20 0.56
PRSS1 P07477 2/20 0.56
PRSS2 P07478 2/20 0.56
PRSS3 P35030 2/20 0.56

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
Trifluoroacetic Acid SCHEMBL7230637 0.97 KLKB1 (0.64) KLKB1F2F10PRSS1PRSS2
SCHEMBL3832841 0.85 KLKB1 (0.55) KLKB1F2F10PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL3830314 0.84 F10 (0.57) KLKB1F2F10PRSS1PRSS2
SCHEMBL3830373 0.80 F10 (0.54) KLKB1F2F10PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL3830432 0.80 KLKB1 (0.51) KLKB1F2F10PRSS1PRSS2
SCHEMBL3830129 0.78 F10 (0.60) KLKB1F2F10PRSS1PRSS2
SCHEMBL18604809 0.78 KLKB1 (0.88) KLKB1
SCHEMBL29825620 0.78 KLKB1 (0.88) KLKB1
SCHEMBL18604685 0.78 KLKB1 (0.87) KLKB1
SCHEMBL30415357 0.78 KLKB1 (0.87) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946508-B1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-09-23 EP claimed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US claimed
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP claimed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 WO claimed
EP-0946508-B1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-09-23 EP disclosed
US-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US disclosed
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 WO disclosed