SCHEMBL8894047

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	VIPR2	P41587	6/20	0.52

▸	VIPR1	P32241	4/20	0.51

▸	BACE1	P56817	1/20	0.49

▸	BACE2	Q9Y5Z0	1/20	0.49

▸	IL23R	Q5VWK5	1/20	0.49

▸	OPRD1	P41143	1/20	0.48

▸	GLP1R	P43220	2/20	0.48

▸	KISS1R	Q969F8	2/20	0.48

▸	NPBWR1	P48145	1/20	0.48

▸	F2	P00734	1/20	0.47

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
SCHEMBL8894659	0.97	VIPR2 (0.56)	VIPR2VIPR1BACE1BACE2IL23R
SCHEMBL8894994	0.91	KISS1R (0.59)	VIPR2VIPR1BACE1BACE2IL23R
SCHEMBL29974987	0.90	NTSR2 (0.54)	OPRD1KISS1RF2
SCHEMBL29974534	0.90	NTSR2 (0.54)	OPRD1KISS1RF2
SCHEMBL29973963	0.89	F2 (0.52)	BACE1BACE2IL23RKISS1RF2
SCHEMBL29974829	0.89	F2 (0.52)	BACE1BACE2IL23RKISS1RF2
SCHEMBL8894598	0.88	BACE1 (0.53)	VIPR2BACE1BACE2IL23ROPRD1
SCHEMBL9437224	0.87	BACE1 (0.60)	VIPR2BACE1BACE2OPRD1KISS1R
SCHEMBL31405782	0.87	BACE1 (0.55)	VIPR2VIPR1BACE1BACE2OPRD1
SCHEMBL16509008	0.87	IL23R (0.57)	VIPR2VIPR1IL23R

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-5618785-A	ANTIISCHEMIC AGENTS, ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS	CENTOCOR, INC. (US)	1997-04-08	—	—	US	disclosed
WO-1995014787-A1	PEPTIDE INHIBITORS OF SELECTING BINDING	CENTOCOR, INC. (US)	1995-06-01	—	—	WO	disclosed