SCHEMBL18536238

SCHEMBL18536238

Cc1ccc(C#N)c(C2=CC(=O)N([C@H]3CCC[C@@H](C)C(=O)Nc4ccccc4-c4ccnc3c4)CC2)c1F

nearest known ligand 0.91

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 19/20 0.91
▸ F11 P03951 19/20 0.91
▸ KLKB1 P03952 19/20 0.91

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
SCHEMBL18536239 0.95 KLKB1 (1.00) F9F11KLKB1
SCHEMBL15594105 0.95 KLKB1 (1.00) F9F11KLKB1
SCHEMBL15594144 0.92 F9 (1.00) F9F11KLKB1
SCHEMBL18536152 0.92 F9 (1.00) F9F11KLKB1
SCHEMBL15594205 0.90 KLKB1 (1.00) F9F11KLKB1
SCHEMBL18536240 0.90 KLKB1 (1.00) F9F11KLKB1
SCHEMBL18523890 0.89 F9 (0.91) F9F11KLKB1
SCHEMBL15594146 0.87 KLKB1 (1.00) F9F11KLKB1
SCHEMBL18535945 0.87 KLKB1 (1.00) F9F11KLKB1
SCHEMBL15594135 0.87 F11 (1.00) F9F11KLKB1

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 disclosed
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