SCHEMBL4583243

COCCCCOc1ccc([C@@H]2[C@@H](OCc3ccc4c(c3)N(CCCOC)CCO4)CN(C(=O)[C@H](C)N)C[C@H]2OC[C@@H](C)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	4/20	0.36

▸	HRH2	P25021	3/20	0.34

▸	HRH1	P35367	3/20	0.34

▸	HRH3	Q9Y5N1	3/20	0.34

▸	RORC	P51449	8/20	0.33

▸	SLC6A4	P31645	1/20	0.31

▸	PIK3CD	O00329	2/20	0.31

▸	PIK3CA	P42336	2/20	0.31

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
SCHEMBL4583244	1.00	REN (0.36)	RENHRH2HRH1HRH3RORC
SCHEMBL4582750	0.95	REN (0.36)	RENHRH2HRH1HRH3RORC
SCHEMBL4582751	0.95	REN (0.36)	RENHRH2HRH1HRH3RORC
SCHEMBL8459461	0.94	HRH2 (0.35)	RENHRH2HRH1RORC
SCHEMBL4582662	0.94	HRH2 (0.35)	RENHRH2HRH1RORC
SCHEMBL4582658	0.94	HRH2 (0.35)	RENHRH2HRH1RORC
SCHEMBL4584012	0.93	REN (0.36)	RENHRH2HRH1RORC
SCHEMBL4584015	0.93	REN (0.36)	RENHRH2HRH1RORC
SCHEMBL1040276	0.93	REN (0.36)	RENHRH3RORCPIK3CDPIK3CA
SCHEMBL1040275	0.93	REN (0.36)	RENHRH3RORCPIK3CDPIK3CA

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-1908762-A2	Organic compounds	Speedel Experimenta AG (CH)	2008-04-09	—	—	EP	disclosed
EP-1908761-A1	Organic compounds	Speedel Experimenta AG (CH)	2008-04-09	—	—	EP	disclosed