SCHEMBL18523904

SCHEMBL18523904

C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Br)c3F)=CC2=O)c2cc(ccn2)-c2ccc(NC(=O)O)cc2NC1=O

nearest known ligand 0.89

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 18/20 0.89
▸ KLKB1 P03952 18/20 0.89
▸ F9 P00740 15/20 0.89
▸ F12 P00748 1/20 0.76
▸ PLAT P00750 1/20 0.76
▸ PROC P04070 1/20 0.76
▸ F7 P08709 1/20 0.76
▸ CTRB1 P17538 1/20 0.76
▸ CTRL P40313 1/20 0.76
▸ CTRB2 Q6GPI1 1/20 0.76
▸ CTRC Q99895 1/20 0.76

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
SCHEMBL15594282 0.94 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL18523794 0.93 F11 (0.90) F11KLKB1F9F12PLAT
SCHEMBL18124051 0.92 F11 (0.91) F11KLKB1F9F12PLAT
SCHEMBL16910511 0.92 F11 (0.91) F11KLKB1F9F12PLAT
SCHEMBL18124007 0.92 F11 (0.91) F11KLKB1F9F12PLAT
SCHEMBL18523795 0.92 F11 (0.90) F11KLKB1F9F12PLAT
SCHEMBL18123972 0.92 F11 (0.91) F11KLKB1F9F12PLAT
SCHEMBL18124030 0.91 KLKB1 (0.89) F11KLKB1F9F12PLAT
SCHEMBL18124024 0.89 F11 (0.79) F11KLKB1F9F12PLAT
SCHEMBL18535970 0.89 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-2880026-B1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-22 — — EP claimed
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