SCHEMBL8893062

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	6/20	0.57

▸	BACE1	P56817	1/20	0.57

▸	BACE2	Q9Y5Z0	1/20	0.57

▸	TFPI	P10646	1/20	0.57

▸	KISS1R	Q969F8	6/20	0.56

▸	OPRM1	P35372	1/20	0.53

▸	OPRD1	P41143	1/20	0.53

▸	OPRK1	P41145	1/20	0.53

▸	PSEN1	P49768	2/20	0.53

▸	PSEN2	P49810	2/20	0.53

▸	APH1B	Q8WW43	2/20	0.53

▸	NCSTN	Q92542	2/20	0.53

▸	APH1A	Q96BI3	2/20	0.53

▸	PSENEN	Q9NZ42	2/20	0.53

▸	GLP1R	P43220	2/20	0.52

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
SCHEMBL8894949	0.96	BACE1 (0.61)	IL23RBACE1BACE2TFPIKISS1R
SCHEMBL8894994	0.95	KISS1R (0.59)	IL23RBACE1BACE2KISS1ROPRM1
SCHEMBL8894942	0.89	GLP1R (0.53)	IL23RTFPIKISS1RGLP1R
SCHEMBL29973963	0.89	F2 (0.52)	IL23RBACE1BACE2TFPIKISS1R
SCHEMBL29974829	0.89	F2 (0.52)	IL23RBACE1BACE2TFPIKISS1R
SCHEMBL8894659	0.89	VIPR2 (0.56)	IL23RBACE1BACE2KISS1RGLP1R
SCHEMBL13781468	0.87	KISS1R (0.56)	BACE1BACE2KISS1ROPRM1OPRD1
SCHEMBL9437210	0.86	BACE1 (0.67)	IL23RBACE1BACE2TFPIKISS1R
SCHEMBL8894047	0.86	VIPR2 (0.52)	IL23RBACE1BACE2KISS1ROPRD1
SCHEMBL13634094	0.86	BACE1 (0.55)	BACE1BACE2TFPIKISS1ROPRM1

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