SCHEMBL8894598

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)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 0.53

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	7/20	0.53

▸	BACE2	Q9Y5Z0	4/20	0.53

▸	KISS1R	Q969F8	3/20	0.49

▸	VIPR2	P41587	1/20	0.48

▸	IL23R	Q5VWK5	1/20	0.48

▸	OPRD1	P41143	1/20	0.48

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
SCHEMBL8895122	0.93	BACE1 (0.62)	BACE1BACE2KISS1RIL23ROPRD1
SCHEMBL8894659	0.91	VIPR2 (0.56)	BACE1BACE2KISS1RVIPR2IL23R
SCHEMBL8894047	0.88	VIPR2 (0.52)	BACE1BACE2KISS1RVIPR2IL23R
SCHEMBL9437224	0.86	BACE1 (0.60)	BACE1BACE2KISS1RVIPR2OPRD1
SCHEMBL30512568	0.85	BACE1 (0.64)	BACE1BACE2KISS1RVIPR2OPRD1
SCHEMBL8894994	0.85	KISS1R (0.59)	BACE1BACE2KISS1RVIPR2IL23R
SCHEMBL31510399	0.84	BACE1 (0.54)	BACE1BACE2OPRD1
SCHEMBL9437222	0.84	BACE1 (0.61)	BACE1BACE2KISS1RVIPR2OPRD1
SCHEMBL9437208	0.84	BACE1 (0.61)	BACE1BACE2KISS1RVIPR2OPRD1
SCHEMBL9437247	0.84	BACE1 (0.61)	BACE1BACE2KISS1RVIPR2OPRD1

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