SCHEMBL3833307

SCHEMBL3833307

Cc1cc(C(=O)Nc2ccc(N3CCOCC3F)cc2)n(-c2cccc(CN)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.56
F2 P00734 7/20 0.56
PRSS1 P07477 7/20 0.56
PRSS2 P07478 7/20 0.56
PRSS3 P35030 7/20 0.56
KLKB1 P03952 7/20 0.53
TSHR P16473 1/20 0.46

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
SCHEMBL3830373 0.80 F10 (0.54) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL3830432 0.76 KLKB1 (0.51) F10F2PRSS1PRSS2PRSS3
SCHEMBL3830461 0.76 F10 (0.50) F10F2PRSS1PRSS2PRSS3
SCHEMBL19710439 0.76 TSHR (0.74) F10F2PRSS1PRSS2PRSS3
SCHEMBL3831539 0.75 F10 (0.58) F10F2PRSS1PRSS2PRSS3
SCHEMBL18622996 0.75 KLKB1 (0.65) F10F2PRSS1PRSS2PRSS3
SCHEMBL7395467 0.75 F10 (0.60) F10F2PRSS1PRSS2PRSS3
SCHEMBL7408574 0.75 KLKB1 (0.59) F10F2PRSS1PRSS2PRSS3
SCHEMBL18623062 0.74 KLKB1 (0.70) KLKB1
SCHEMBL18623001 0.74 KLKB1 (0.66) 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 1 patent. 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 disclosed