SCHEMBL17991856

COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CC(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	KLKB1	P03952	19/20	1.00

▸	F11	P03951	17/20	0.89

▸	F12	P00748	1/20	0.89

▸	PLAT	P00750	1/20	0.89

▸	PROC	P04070	1/20	0.89

▸	F7	P08709	1/20	0.89

▸	CTRB1	P17538	1/20	0.89

▸	CTRL	P40313	1/20	0.89

▸	CTRB2	Q6GPI1	1/20	0.89

▸	CTRC	Q99895	1/20	0.89

▸	F9	P00740	13/20	0.83

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.

Compound	similarity	top predicted	shared targets
SCHEMBL16782297	0.94	F11 (1.00)	KLKB1F11F12PLATPROC
SCHEMBL15597198	0.94	F11 (1.00)	KLKB1F11F12PLATPROC
SCHEMBL15456413	0.94	F11 (1.00)	KLKB1F11F12PLATPROC
SCHEMBL15597251	0.94	F11 (1.00)	KLKB1F11F12PLATPROC
SCHEMBL15456517	0.94	F11 (1.00)	KLKB1F11F12PLATPROC
SCHEMBL15594151	0.94	KLKB1 (1.00)	KLKB1F11F12PLATPROC
SCHEMBL15594179	0.91	F11 (1.00)	KLKB1F11F12PLATPROC
SCHEMBL18536125	0.90	F11 (0.97)	KLKB1F11F12PLATPROC
SCHEMBL15594145	0.89	F11 (1.00)	KLKB1F11F12PLATPROC
SCHEMBL18536117	0.89	KLKB1 (1.00)	KLKB1F11F12PLATPROC

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-9409908-B2	Dihydropyridone p1 as factor XIa inhibitors	BRISTOL-MYERS SQUIBB COMPANY (US)	2016-08-09	—	—	US	disclosed