SCHEMBL7975776

COC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(=NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	HCRTR2	O43614	6/20	0.47

▸	KMT2A	Q03164	3/20	0.44

▸	HCRTR1	O43613	4/20	0.43

▸	ADORA1	P30542	1/20	0.42

▸	ROCK2	O75116	2/20	0.37

▸	HRH2	P25021	1/20	0.35

▸	HRH1	P35367	1/20	0.35

▸	MAPK1	P28482	1/20	0.35

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
SCHEMBL7975773	1.00	HCRTR2 (0.47)	HCRTR2KMT2AHCRTR1ADORA1ROCK2
SCHEMBL7974748	0.95	HCRTR2 (0.46)	HCRTR2KMT2AHCRTR1ADORA1ROCK2
SCHEMBL7974753	0.95	HCRTR2 (0.46)	HCRTR2KMT2AHCRTR1ADORA1ROCK2
SCHEMBL7992634	0.95	HCRTR2 (0.43)	HCRTR2KMT2AHCRTR1ADORA1HRH2
SCHEMBL7986852	0.94	ADORA1 (0.46)	HCRTR2KMT2AHCRTR1ADORA1ROCK2
SCHEMBL7986850	0.94	ADORA1 (0.46)	HCRTR2KMT2AHCRTR1ADORA1ROCK2
SCHEMBL7975130	0.90	ADORA1 (0.42)	HCRTR2KMT2AHCRTR1ADORA1ROCK2
SCHEMBL7988324	0.89	HCRTR2 (0.42)	HCRTR2KMT2AHCRTR1ADORA1HRH2
SCHEMBL7975399	0.89	ADORA1 (0.42)	HCRTR2KMT2AHCRTR1ADORA1HRH2
SCHEMBL7975775	0.88	ADORA1 (0.43)	HCRTR2KMT2AHCRTR1ADORA1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-6265418-B1	ANTICOAGULANTS	UBE INDUSTRIES, LTD. (JP)	2001-07-24	—	—	US	disclosed
EP-1020467-A1	N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF	UBE INDUSTRIES LIMITED (JP)	2000-07-19	—	—	EP	disclosed