SCHEMBL6588775

SCHEMBL6588775

CO[C@@H]1C[C@H](C(=O)Nc2ccc(-c3ccccc3CN)cc2F)N(C(=O)O)C1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 12/20 0.56
▸ CHRM3 P20309 1/20 0.39
▸ F2 P00734 4/20 0.38
▸ HSD17B3 P37058 1/20 0.38
▸ KLKB1 P03952 3/20 0.37
▸ CD274 Q9NZQ7 2/20 0.37
▸ PROC P04070 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ CFD P00746 2/20 0.37

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
SCHEMBL8448254 0.88 F10 (0.65) F10KLKB1CFD
SCHEMBL3830205 0.87 F10 (0.76) F10KLKB1
SCHEMBL3832343 0.81 F10 (0.58) F10
SCHEMBL4096033 0.74 F10 (0.47) F10KLKB1CFD
SCHEMBL8467091 0.74 F10 (0.76) F10F2KLKB1PRSS1
SCHEMBL3830395 0.74 F10 (0.61) F10
SCHEMBL4848578 0.73 F10 (0.49) F10KLKB1CFD
SCHEMBL3833575 0.73 F10 (0.78) F10HSD17B3KLKB1
SCHEMBL4102479 0.73 F10 (0.88) F10KLKB1CFD
SCHEMBL3833576 0.73 F10 (0.78) F10HSD17B3KLKB1

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-1465864-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE Warner-Lambert Company LLC (US) 2004-10-13 — — EP claimed
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 — — WO claimed
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