SCHEMBL3833446

SCHEMBL3833446

N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(C3CCCCC3)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.67
F9 P00740 7/20 0.67
F2 P00734 7/20 0.63
PRSS1 P07477 7/20 0.63
PRSS2 P07478 7/20 0.63
PRSS3 P35030 7/20 0.63
KLKB1 P03952 6/20 0.60

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
SCHEMBL3836073 0.87 F10 (0.70) F10F9F2PRSS1PRSS2
SCHEMBL3834889 0.83 KLKB1 (0.61) PRSS1PRSS2PRSS3KLKB1
SCHEMBL3829912 0.80 F10 (1.00) F10F9F2PRSS1PRSS2
SCHEMBL3832713 0.80 F10 (0.68) F10F9F2PRSS1PRSS2
SCHEMBL3836084 0.79 F10 (0.68) F10F9F2PRSS1PRSS2
SCHEMBL17064344 0.77 KLKB1 (0.84) F10F9F2PRSS1PRSS2
SCHEMBL7091736 0.77 F2 (0.68) F10F9F2PRSS1PRSS2
SCHEMBL3830129 0.76 F10 (0.60) F10F9F2PRSS1PRSS2
SCHEMBL6740033 0.76 F2 (0.67) F10F9F2PRSS1PRSS2
SCHEMBL7091734 0.76 F2 (0.67) F10F9F2PRSS1PRSS2

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