SCHEMBL19488798

C[C@H]1C[C@@H](c2nc3cc(C#Cc4ccc5c6c(ccc5c4)NC([C@@H]4C[C@H](C)CN4C(=O)OC(C)(C)C)N6)ccc3[nH]2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.30

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	GABRA1	P14867	2/20	0.30

▸	GABRG2	P18507	2/20	0.30

▸	GABRB3	P28472	2/20	0.30

▸	GABRA3	P34903	2/20	0.30

▸	GABRA2	P47869	2/20	0.30

▸	PARP1	P09874	1/20	0.30

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
SCHEMBL10201490	0.84	GABRA1 (0.36)	GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL12798667	0.76	CYP1A2 (0.39)	GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL14849158	0.76	CYP2C9 (0.35)	GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL12373624	0.74	GABRA5 (0.37)	GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2452120	0.74	CYP2C9 (0.34)	GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2386860	0.74	PARP1 (0.37)	GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10201494	0.74	PARP1 (0.39)	PARP1
SCHEMBL14841827	0.74	PARP1 (0.37)	GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL12333084	0.74	PARP1 (0.37)	GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL14849166	0.73	GABRG2 (0.38)	GABRA1GABRG2GABRB3GABRA3GABRA2

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
EP-2601188-B1	HEPATITIS C VIRUS INHIBITORS	BRISTOL MYERS SQUIBB CO (US)	2017-10-18	—	—	EP	disclosed