SCHEMBL14259003

CC1(C)/C(=C\C=C\C=C2/C(=O)N(c3cccc(N)c3)C(=S)N(c3cccc(C#N)c3)C2=O)N(CCCNC(=O)CCl)c2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.34

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	ADORA1	P30542	3/20	0.34

▸	OPRM1	P35372	1/20	0.33

▸	OPRK1	P41145	1/20	0.33

▸	CHRM1	P11229	4/20	0.33

▸	KIFC1	Q9BW19	1/20	0.33

▸	CHRM2	P08172	3/20	0.32

▸	CHRM4	P08173	3/20	0.32

▸	CHRM5	P08912	3/20	0.32

▸	CHRM3	P20309	3/20	0.32

▸	HRH1	P35367	2/20	0.32

▸	HRH2	P25021	6/20	0.31

▸	ADORA3	P0DMS8	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
SCHEMBL14258994	0.95	ADORA1 (0.34)	ADORA1OPRM1OPRK1CHRM1KIFC1
SCHEMBL14258968	0.94	ADORA1 (0.37)	ADORA1OPRM1OPRK1CHRM1KIFC1
SCHEMBL14259197	0.91	ADORA1 (0.35)	ADORA1OPRM1OPRK1CHRM1KIFC1
SCHEMBL14259195	0.87	CHRM1 (0.38)	ADORA1OPRM1OPRK1CHRM1KIFC1
SCHEMBL14259193	0.83	CHRM1 (0.38)	ADORA1OPRM1OPRK1CHRM1KIFC1
SCHEMBL14259191	0.82	MEN1 (0.35)	ADORA1OPRM1OPRK1CHRM1KIFC1
SCHEMBL14259005	0.82	ADORA3 (0.39)	ADORA1OPRM1OPRK1CHRM1KIFC1
SCHEMBL14259004	0.82	ADORA1 (0.38)	ADORA1OPRM1OPRK1CHRM1KIFC1
SCHEMBL14259084	0.82	ADORA1 (0.39)	ADORA1OPRM1OPRK1CHRM1KIFC1
SCHEMBL13713104	0.80	HRH2 (0.36)	ADORA1OPRM1OPRK1CHRM1KIFC1

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
WO-2008027075-A2	SULFHYDRYL-REACTIVE, WATER SOLUBLE DYES	THE SCRIPPS RESEARCH INSTITUTE (US)	2008-03-06	—	—	WO	disclosed