Enrasentan

SCHEMBL7660593

C=C.CCCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1OCCO)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2.N.N

nearest known ligand 0.95

Known targets — ChEMBL curated mechanism

The experimentally established mechanism targets of Enrasentan. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	EDNRA known ✓	P25101	20/20	0.95

▸	EDNRB known ✓	P24530	19/20	0.95

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
Enrasentan SCHEMBL8008492	0.99	EDNRA (0.97)	EDNRAEDNRB
Enrasentan SCHEMBL7636324	0.98	EDNRA (1.00)	EDNRAEDNRB
Enrasentan SCHEMBL1031130	0.98	EDNRA (1.00)	EDNRAEDNRB
Enrasentan SCHEMBL29356829	0.98	EDNRA (1.00)	EDNRAEDNRB
Enrasentan SCHEMBL8206689	0.98	EDNRA (1.00)	EDNRAEDNRB
Enrasentan SCHEMBL1649828	0.98	EDNRA (1.00)	EDNRAEDNRB
Enrasentan SCHEMBL7610103	0.95	EDNRA (0.95)	EDNRAEDNRB
SCHEMBL13038489	0.94	EDNRA (0.93)	EDNRAEDNRB
SCHEMBL8203979	0.94	EDNRA (0.93)	EDNRAEDNRB
SCHEMBL7538909	0.94	EDNRA (0.92)	EDNRAEDNRB

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
US-6441173-B1	NOVEL INTERMEDIATES OF AND CONVERSION TO 3-(2-(2-HYDROXYETH-1-YLOXY) OR (2-CARBOXYMETHOXY)-4-METHOXYPHENYL)-1-(3,4-METHYLENE DIOXYPHENYL)-5-(PROP-1-YLOXY)INDANE-2-CARBOXYLIC ACID	SMITHKLINE BEECHAM CORPORATION	2002-08-27	—	—	US	disclosed