SCHEMBL3830461

SCHEMBL3830461

COc1cc(N2CCOCC2)ccc1NC(=O)c1cc(C)nn1-c1cccc(CN)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.50
F2 P00734 4/20 0.50
PRSS1 P07477 4/20 0.50
PRSS2 P07478 4/20 0.50
PRSS3 P35030 4/20 0.50
IRAK4 Q9NWZ3 2/20 0.49
IRAK1 P51617 1/20 0.49
KLKB1 P03952 8/20 0.48
FLT3 P36888 1/20 0.44
KLK1 P06870 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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 SCHEMBL3858932 0.95 F10 (0.48) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL3830439 0.85 F10 (0.47) F10F2IRAK4IRAK1SMN1; SMN2
SCHEMBL3831562 0.85 F10 (0.46) F10IRAK4IRAK1KLKB1SMN1; SMN2
SCHEMBL7409963 0.78 F10 (0.49) F10F2PRSS1PRSS2PRSS3
SCHEMBL3830373 0.78 F10 (0.54) F10F2PRSS1PRSS2PRSS3
SCHEMBL3833307 0.76 F10 (0.56) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL3830432 0.74 KLKB1 (0.51) F10F2PRSS1PRSS2PRSS3
SCHEMBL22897205 0.73 F10 (0.54) F10F2PRSS1PRSS2PRSS3
SCHEMBL18623062 0.72 KLKB1 (0.70) KLKB1
SCHEMBL3830187 0.71 F10 (0.72) 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 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