SCHEMBL7477366

SCHEMBL7477366

N=C(N)c1cccc(OCCNc2ccc(C(=O)N3CCCC3)cc2)c1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.78
PRSS1 P07477 10/20 0.71
F2 P00734 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
SCHEMBL7478383 0.97 F10 (0.76) F10PRSS1
SCHEMBL14132262 0.88 F10 (1.00) F10PRSS1F2
SCHEMBL14132003 0.87 F10 (0.98) F10PRSS1F2
Trifluoroacetic Acid SCHEMBL3901365 0.84 F10 (0.89) F10PRSS1F2
Trifluoroacetic Acid SCHEMBL5105095 0.84 F10 (0.87) F10PRSS1F2
SCHEMBL7475225 0.83 F10 (1.00) F10PRSS1
SCHEMBL7471700 0.82 F10 (1.00) F10PRSS1
SCHEMBL7475473 0.81 F10 (1.00) F10PRSS1F2
SCHEMBL3901372 0.80 F10 (0.64) F10PRSS1
SCHEMBL5105097 0.79 F10 (0.62) F10PRSS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183235-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-03-06 EP disclosed
WO-2000071510-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 WO disclosed