SCHEMBL4584012

CC[C@H](C)[C@H](N)C(=O)N1C[C@H](OCc2ccc3c(c2)N(CCCOC)CCO3)[C@@H](c2ccc(OCCCCOC)cc2)[C@H](OC[C@@H](C)O)C1

nearest known ligand 0.36

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	3/20	0.36

▸	RORC	P51449	8/20	0.33

▸	HRH2	P25021	2/20	0.31

▸	HRH1	P35367	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
SCHEMBL4584015	1.00	REN (0.36)	RENRORCHRH2HRH1
SCHEMBL4582750	0.95	REN (0.36)	RENRORCHRH2HRH1
SCHEMBL4582751	0.95	REN (0.36)	RENRORCHRH2HRH1
SCHEMBL4583243	0.93	REN (0.36)	RENRORCHRH2HRH1
SCHEMBL4583244	0.93	REN (0.36)	RENRORCHRH2HRH1
SCHEMBL4583368	0.93	REN (0.36)	RENRORC
SCHEMBL4583365	0.93	REN (0.36)	RENRORC
SCHEMBL4582658	0.91	HRH2 (0.35)	RENRORCHRH2HRH1
SCHEMBL8459461	0.91	HRH2 (0.35)	RENRORCHRH2HRH1
SCHEMBL4582662	0.91	HRH2 (0.35)	RENRORCHRH2HRH1

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