SCHEMBL3943099

CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3)C2)nc1OCC.CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccccc3)C2)nc1OCC.O=C(O)c1cccnc1CO

nearest known ligand 0.67

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	P2RY12	Q9H244	20/20	0.67

▸	CYP2C9	P11712	7/20	0.60

▸	CYP3A4	P08684	5/20	0.60

▸	CHRM2	P08172	1/20	0.56

▸	DRD3	P35462	1/20	0.56

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
SCHEMBL3328402	0.89	P2RY12 (0.84)	P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3327243	0.88	P2RY12 (0.84)	P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3327467	0.85	P2RY12 (0.84)	P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4007025	0.84	P2RY12 (0.64)	P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3329449	0.83	P2RY12 (0.84)	P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3327629	0.83	P2RY12 (0.84)	P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4011690	0.83	P2RY12 (0.64)	P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3587176	0.83	P2RY12 (0.78)	P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3594018	0.82	P2RY12 (0.77)	P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4005640	0.82	P2RY12 (0.72)	P2RY12CYP2C9CYP3A4CHRM2DRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2111400-A1	PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS.	AstraZeneca AB (SE)	2009-10-28	—	—	EP	disclosed
WO-2008085117-A1	PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS.	ASTRAZENECA AB (SE)	2008-07-17	—	—	WO	disclosed