SCHEMBL18523890

SCHEMBL18523890

Cc1ccc(C#N)c(C2=CC(=O)N([C@H]3CCC[C@@H](C)C(=O)Nc4cc(NC(=O)O)ccc4-c4ccnc3c4)CC2)c1F

nearest known ligand 0.91

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 19/20 0.91
▸ F11 P03951 19/20 0.91
▸ KLKB1 P03952 17/20 0.79
▸ F12 P00748 1/20 0.67
▸ PLAT P00750 1/20 0.67
▸ PROC P04070 1/20 0.67
▸ F7 P08709 1/20 0.67
▸ CTRB1 P17538 1/20 0.67
▸ CTRL P40313 1/20 0.67
▸ CTRB2 Q6GPI1 1/20 0.67
▸ CTRC Q99895 1/20 0.67

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
SCHEMBL15594135 0.95 F11 (1.00) F9F11KLKB1F12PLAT
SCHEMBL18535971 0.95 F11 (1.00) F9F11KLKB1F12PLAT
SCHEMBL18523893 0.94 F11 (0.90) F9F11KLKB1F12PLAT
SCHEMBL18523794 0.92 F11 (0.90) F9F11KLKB1F12PLAT
SCHEMBL18523918 0.91 F11 (0.89) F9F11KLKB1F12PLAT
SCHEMBL18523795 0.91 F11 (0.90) F9F11KLKB1F12PLAT
SCHEMBL18536238 0.89 F9 (0.91) F9F11KLKB1
SCHEMBL18523900 0.89 KLKB1 (0.90) F9F11KLKB1F12PLAT
SCHEMBL15594199 0.88 F11 (1.00) F9F11KLKB1F12PLAT
SCHEMBL18536155 0.88 F11 (1.00) F9F11KLKB1F12PLAT

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-2880026-B1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-22 — — EP claimed
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