SCHEMBL9073302

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)O

nearest known ligand 0.66

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	9/20	0.66

▸	C5AR1	P21730	2/20	0.59

▸	IL23R	Q5VWK5	1/20	0.58

▸	OPRM1	P35372	1/20	0.56

▸	F2	P00734	4/20	0.56

▸	NMBR	P28336	2/20	0.55

▸	GRPR	P30550	2/20	0.55

▸	CTSL	P07711	1/20	0.55

▸	CTSH	P09668	1/20	0.55

▸	CTSS	P25774	1/20	0.55

▸	CTSK	P43235	1/20	0.55

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
SCHEMBL31238594	0.88	KISS1R (0.62)	KISS1RC5AR1NMBRGRPRCTSL
SCHEMBL29904606	0.87	NMBR (0.60)	KISS1RC5AR1F2NMBRGRPR
SCHEMBL30608426	0.85	KISS1R (0.58)	KISS1RC5AR1F2NMBRGRPR
SCHEMBL30974606	0.84	CXCL8 (0.63)	KISS1RNMBRGRPR
SCHEMBL31238544	0.84	KISS1R (0.57)	KISS1RC5AR1NMBRGRPRCTSL
SCHEMBL30873115	0.84	CAPN1 (0.56)	KISS1RC5AR1
SCHEMBL29504116	0.84	C5AR1 (0.64)	KISS1RC5AR1IL23RNMBRGRPR
SCHEMBL30834802	0.84	CAPN1 (0.58)	KISS1RC5AR1F2NMBRGRPR
SCHEMBL30668090	0.83	C5AR1 (0.59)	KISS1RC5AR1IL23RF2NMBR
SCHEMBL30297637	0.83	C5AR1 (0.57)	KISS1RC5AR1OPRM1F2CTSL

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-5519000-A	OLIGOPEPTIDE	CENTECOR, INC. (US)	1996-05-21	—	—	US	disclosed