SCHEMBL18536125

SCHEMBL18536125

COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCCC[C@H](N1CC(C)C(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1

nearest known ligand 0.97

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 17/20 0.97
▸ KLKB1 P03952 14/20 0.97
▸ F9 P00740 8/20 0.97
▸ F12 P00748 1/20 0.79
▸ PLAT P00750 1/20 0.79
▸ PROC P04070 1/20 0.79
▸ F7 P08709 1/20 0.79
▸ CTRB1 P17538 1/20 0.79
▸ CTRL P40313 1/20 0.79
▸ CTRB2 Q6GPI1 1/20 0.79
▸ CTRC Q99895 1/20 0.79

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
SCHEMBL15594179 0.99 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL18523864 0.93 KLKB1 (0.89) F11KLKB1F9F12PLAT
SCHEMBL17991856 0.90 KLKB1 (1.00) F11KLKB1F9F12PLAT
SCHEMBL16782297 0.88 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL15597198 0.88 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL15456517 0.88 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL15456413 0.88 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL15597251 0.88 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL15594207 0.86 KLKB1 (0.77) F11KLKB1F9
SCHEMBL18536070 0.85 F11 (0.98) F11KLKB1F9F12PLAT

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
US-9951071-B2 Dihydropyridone P1 as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-24 — — US disclosed
EP-2880026-B1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-22 — — EP disclosed
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