SCHEMBL9710401

CC(C)C[C@](N)(C(=O)N[C@@H](Cc1ccc(NC=S)cc1)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	ACE	P12821	2/20	0.41

▸	F10	P00742	2/20	0.39

▸	CMA1	P23946	10/20	0.38

▸	F2	P00734	4/20	0.38

▸	PRSS1	P07477	4/20	0.38

▸	PRSS2	P07478	3/20	0.38

▸	PRSS3	P35030	3/20	0.38

▸	XIAP	P98170	1/20	0.37

▸	MC4R	P32245	1/20	0.37

▸	MC3R	P41968	1/20	0.37

▸	MC1R	Q01726	1/20	0.37

▸	CTRC	Q99895	3/20	0.36

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
SCHEMBL9710885	0.90	ACE (0.43)	ACEF10CMA1F2PRSS1
SCHEMBL9710492	0.89	F10 (0.48)	ACEF10F2PRSS1
Iodide SCHEMBL9710506	0.88	F10 (0.48)	ACEF10F2PRSS1
SCHEMBL10053455	0.73	ACE (0.56)	ACECMA1F2PRSS1
SCHEMBL17081787	0.73	ACE (0.56)	ACECMA1F2PRSS1
SCHEMBL10021917	0.73	ACE (0.56)	ACECMA1F2PRSS1
SCHEMBL5971091	0.69	ACE (0.59)	ACECMA1F2PRSS1
SCHEMBL9710466	0.69	CTSG (0.42)	CMA1F2
SCHEMBL7387039	0.67	ADORA3 (0.53)	F10F2
SCHEMBL8365663	0.67	ACE (0.56)	ACECMA1F2PRSS1

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
WO-1992016549-A1	PARASUBSTITUTED PHENYLALANINE DERIVATES	PENTAPHARM AG (CH)	1992-10-01	—	—	WO	disclosed