SCHEMBL29993441

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	6/20	0.59

▸	OPRD1	P41143	6/20	0.59

▸	C5AR1	P21730	2/20	0.59

▸	IL23R	Q5VWK5	1/20	0.57

▸	KISS1R	Q969F8	4/20	0.57

▸	CXCL8	P10145	3/20	0.55

▸	GNRHR	P30968	1/20	0.54

▸	TACR1	P25103	1/20	0.54

▸	CXCR4	P61073	1/20	0.54

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
SCHEMBL30648460	0.89	KISS1R (0.64)	KISS1RCXCL8CXCR4
SCHEMBL31182464	0.88	GLP1R (0.62)	KISS1RCXCL8CXCR4
SCHEMBL29914614	0.88	KISS1R (0.61)	C5AR1IL23RKISS1RCXCL8
SCHEMBL29884130	0.88	OPRM1 (0.61)	OPRM1OPRD1
SCHEMBL29558373	0.88	CAPN1 (0.61)	KISS1RCXCL8TACR1
SCHEMBL29740185	0.88	KISS1R (0.60)	IL23RKISS1RCXCL8
SCHEMBL29376302	0.87	OPRM1 (0.64)	OPRM1OPRD1
SCHEMBL30625026	0.87	OPRM1 (0.64)	OPRM1OPRD1
SCHEMBL30567694	0.87	C5AR1 (0.59)	C5AR1IL23RCXCL8CXCR4
SCHEMBL30792345	0.87	GNRHR (0.56)	OPRM1OPRD1C5AR1KISS1RCXCL8

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-20220251208-A1	Caninized Antibodies Against Canine CTLA-4	INTERVET INC. (US)	2022-08-11	—	—	US	disclosed