SCHEMBL3372425

COCCCOc1cc(C(=O)N(C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN(C(=O)[C@H]2CC[C@H](OC)CC2)C2CC2)C(C)C)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	20/20	0.52

▸	HTR1A	P08908	2/20	0.49

▸	ADRA1D	P25100	2/20	0.49

▸	HTR2A	P28223	2/20	0.49

▸	ADRA1A	P35348	2/20	0.49

▸	ADRA1B	P35368	2/20	0.49

▸	HTR2B	P41595	2/20	0.49

▸	KCNH2	Q12809	2/20	0.49

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
SCHEMBL3371826	1.00	REN (0.52)	RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3371827	1.00	REN (0.52)	RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3438593	0.93	REN (0.52)	RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3371545	0.93	REN (0.52)	RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3371548	0.93	REN (0.52)	RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3373270	0.89	REN (0.55)	RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3372124	0.88	REN (0.61)	RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3372126	0.88	REN (0.61)	RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3372561	0.88	REN (0.51)	RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3372559	0.88	REN (0.51)	RENHTR1AADRA1DHTR2AADRA1A

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-1863477-B1	3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION	NOVARTIS AG (CH)	2010-11-03	—	—	EP	disclosed