SCHEMBL8895122

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

nearest known ligand 0.62

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	12/20	0.62

▸	BACE2	Q9Y5Z0	5/20	0.62

▸	KISS1R	Q969F8	4/20	0.55

▸	IL23R	Q5VWK5	1/20	0.55

▸	OPRM1	P35372	2/20	0.54

▸	OPRD1	P41143	2/20	0.54

▸	OPRK1	P41145	1/20	0.54

▸	CTSD	P07339	1/20	0.51

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
SCHEMBL8894598	0.93	BACE1 (0.53)	BACE1BACE2KISS1RIL23ROPRD1
SCHEMBL29878491	0.90	BACE1 (0.64)	BACE1BACE2CTSD
SCHEMBL30589713	0.86	CRHR1 (0.59)	BACE1BACE2KISS1RIL23R
SCHEMBL9437224	0.85	BACE1 (0.60)	BACE1BACE2KISS1ROPRD1CTSD
SCHEMBL29416557	0.85	TFPI (0.68)	KISS1R
SCHEMBL27043239	0.85	TFPI (0.68)	KISS1R
SCHEMBL30646305	0.85	BACE1 (0.64)	BACE1BACE2CTSD
SCHEMBL8894994	0.84	KISS1R (0.59)	BACE1BACE2KISS1RIL23ROPRM1
SCHEMBL9437208	0.83	BACE1 (0.61)	BACE1BACE2KISS1ROPRD1
SCHEMBL9437247	0.83	BACE1 (0.61)	BACE1BACE2KISS1ROPRD1

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
US-5618785-A	ANTIISCHEMIC AGENTS, ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS	CENTOCOR, INC. (US)	1997-04-08	—	—	US	disclosed