SCHEMBL7446167

Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.83

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	EDNRB	P24530	12/20	0.83

▸	EDNRA	P25101	12/20	0.83

▸	MCL1	Q07820	2/20	0.50

▸	TACR1	P25103	2/20	0.50

▸	BCL2	P10415	1/20	0.50

▸	MMP2	P08253	2/20	0.49

▸	MMP9	P14780	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
SCHEMBL7437360	0.97	EDNRB (0.79)	EDNRBEDNRAMCL1TACR1BCL2
SCHEMBL27456967	0.96	EDNRB (0.80)	EDNRBEDNRAMCL1TACR1
SCHEMBL7435748	0.95	EDNRB (0.78)	EDNRBEDNRAMCL1TACR1BCL2
SCHEMBL7445711	0.95	EDNRB (0.78)	EDNRBEDNRATACR1
SCHEMBL27456962	0.94	EDNRB (0.76)	EDNRBEDNRAMCL1TACR1BCL2
SCHEMBL7439798	0.94	EDNRB (0.76)	EDNRBEDNRAMCL1TACR1BCL2
SCHEMBL27457457	0.94	EDNRB (0.79)	EDNRBEDNRAMCL1TACR1BCL2
SCHEMBL7441244	0.94	EDNRB (0.79)	EDNRBEDNRAMCL1TACR1BCL2
SCHEMBL27457455	0.94	EDNRB (0.77)	EDNRBEDNRAMCL1TACR1BCL2
SCHEMBL7444981	0.94	EDNRB (0.77)	EDNRBEDNRAMCL1TACR1BCL2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-1995026360-A1	ANTAGONISTS OF ENDOTHELIN RECEPTORS	JAPAT LTD. (CH)	1995-10-05	—	—	WO	claimed
EP-0753004-A1	ANTAGONISTS OF ENDOTHELIN RECEPTORS	Japat Ltd (CH)	1997-01-15	—	—	EP	disclosed
WO-1995026360-A1	ANTAGONISTS OF ENDOTHELIN RECEPTORS	JAPAT LTD. (CH)	1995-10-05	—	—	WO	disclosed