SCHEMBL1036809

COCCCN1CC(C)(C)c2ccc(CO[C@H]3C(Cc4ccccc4)N(C(=O)O)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	20/20	0.40

▸	CYP3A4	P08684	5/20	0.37

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
SCHEMBL3946423	0.89	REN (0.43)	RENCYP3A4
SCHEMBL1039555	0.88	REN (0.42)	REN
SCHEMBL1036805	0.86	REN (0.41)	RENCYP3A4
SCHEMBL1039065	0.83	REN (0.42)	REN
SCHEMBL4031262	0.80	REN (0.46)	RENCYP3A4
SCHEMBL1036807	0.80	REN (0.35)	RENCYP3A4
SCHEMBL3083192	0.80	REN (0.51)	RENCYP3A4
SCHEMBL1037840	0.79	REN (0.33)	REN
SCHEMBL4535403	0.78	REN (0.39)	REN
SCHEMBL4610122	0.78	REN (0.44)	RENCYP3A4

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-2049514-B1	NITRATE ESTERS OF PIPERIDINES	NOVARTIS AG (CH)	2011-01-26	—	—	EP	disclosed