SCHEMBL3836073

SCHEMBL3836073

Cc1cc(C(=O)Nc2ccc(C3CCCCC3)cc2)n(-c2cccc(C(=N)N)c2)n1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.70
F2 P00734 13/20 0.70
PRSS1 P07477 12/20 0.70
PRSS2 P07478 12/20 0.70
PRSS3 P35030 12/20 0.70
F9 P00740 3/20 0.63
TSHR P16473 1/20 0.50

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
SCHEMBL3833446 0.87 F10 (0.67) F10F2PRSS1PRSS2PRSS3
SCHEMBL3831532 0.86 F10 (0.68) F10F2PRSS1PRSS2PRSS3
SCHEMBL3829612 0.84 F10 (0.70) F10F2PRSS1PRSS2PRSS3
SCHEMBL3831661 0.83 F10 (0.60) F10F2PRSS1PRSS2PRSS3
SCHEMBL3829898 0.82 F10 (0.77) F10F2PRSS1PRSS2PRSS3
SCHEMBL7230488 0.81 F2 (0.67) F10F2PRSS1PRSS2PRSS3
SCHEMBL3834915 0.81 F10 (0.76) F10F2PRSS1PRSS2PRSS3
SCHEMBL3831605 0.81 F10 (0.76) F10F2PRSS1PRSS2PRSS3
SCHEMBL3831563 0.81 F10 (0.75) F10F2PRSS1PRSS2PRSS3
SCHEMBL7398441 0.81 F10 (0.69) F10F2PRSS1PRSS2PRSS3

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 7 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