SCHEMBL20879259

SCHEMBL20879259

COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCCC(N1CCN(c3c(C(F)(F)F)ccc(Cl)c3F)CC1=O)c1cc-2ccn1

nearest known ligand 0.87

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 18/20 0.87
▸ KLKB1 P03952 11/20 0.73
▸ F9 P00740 8/20 0.73
▸ F12 P00748 1/20 0.68
▸ PLAT P00750 1/20 0.68
▸ PROC P04070 1/20 0.68
▸ F7 P08709 1/20 0.68
▸ CTRB1 P17538 1/20 0.68
▸ CTRL P40313 1/20 0.68
▸ CTRB2 Q6GPI1 1/20 0.68
▸ CTRC Q99895 1/20 0.68

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
SCHEMBL14700936 0.93 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL16526139 0.92 F11 (0.86) F11KLKB1F9F12PLAT
SCHEMBL14700707 0.92 F11 (0.86) F11KLKB1F9F12PLAT
SCHEMBL20879159 0.88 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL14700916 0.88 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL14700910 0.86 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL15594046 0.84 KLKB1 (1.00) F11KLKB1F9F12PLAT
SCHEMBL18536142 0.84 KLKB1 (1.00) F11KLKB1F9F12PLAT
SCHEMBL20879265 0.84 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL14700731 0.84 F11 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3070087-B1 INTERMEDIATES FOR THE SYNTHESIS OF CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-04-10 — — EP disclosed
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