SCHEMBL3205367

CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3F)CC2)nc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	P2RY12	Q9H244	20/20	1.00

▸	CYP2C9	P11712	5/20	0.81

▸	CYP3A4	P08684	3/20	0.81

▸	CHRM2	P08172	1/20	0.59

▸	DRD3	P35462	1/20	0.59

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
SCHEMBL3220360	0.92	P2RY12 (0.85)	P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3234546	0.91	P2RY12 (0.83)	P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3230961	0.91	P2RY12 (0.83)	P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3231186	0.90	P2RY12 (0.88)	P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4736338	0.90	P2RY12 (1.00)	P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3209585	0.88	P2RY12 (0.84)	P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3217332	0.88	P2RY12 (0.88)	P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3219694	0.87	P2RY12 (0.90)	P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3217481	0.87	P2RY12 (1.00)	P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3205004	0.86	P2RY12 (1.00)	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
WO-2010005385-A1	2-AMINO-6-ALKYL SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS P2Y12 INHIBITORS 308	ASTRAZENECA AB (SE)	2010-01-14	—	—	WO	claimed
WO-2010005385-A1	2-AMINO-6-ALKYL SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS P2Y12 INHIBITORS 308	ASTRAZENECA AB (SE)	2010-01-14	—	—	WO	disclosed