SCHEMBL14700911

SCHEMBL14700911

COC(=O)Nc1ccc2c(c1)NC(=O)C(C)CCC[C@H](N1CC[C@H](c3c(F)ccc(Cl)c3F)CC1=O)c1cc-2cnc1F

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 19/20 0.81
▸ KLKB1 P03952 5/20 0.60
▸ F9 P00740 3/20 0.60
▸ F12 P00748 1/20 0.59
▸ PLAT P00750 1/20 0.59
▸ PROC P04070 1/20 0.59
▸ F7 P08709 1/20 0.59
▸ CTRB1 P17538 1/20 0.59
▸ CTRL P40313 1/20 0.59
▸ CTRB2 Q6GPI1 1/20 0.59
▸ CTRC Q99895 1/20 0.59

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
SCHEMBL17448686 0.95 F11 (0.78) F11KLKB1F9F12PLAT
SCHEMBL20879234 0.90 F11 (0.65) F11KLKB1F9F12PLAT
SCHEMBL20879307 0.89 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL14700818 0.89 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL20879252 0.89 F11 (0.80) F11KLKB1F9F12PLAT
SCHEMBL20879220 0.89 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL15782187 0.89 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL14700885 0.89 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL20879289 0.85 F11 (0.77) F11KLKB1F9F12PLAT
SCHEMBL18083186 0.84 F11 (0.78) 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
WO-2013022814-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-14 — — WO disclosed
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