SCHEMBL29679968

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)O)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	5/20	0.56

▸	CRHR1	P34998	1/20	0.54

▸	CRHR2	Q13324	1/20	0.54

▸	GLP1R	P43220	1/20	0.54

▸	GCGR	P47871	1/20	0.54

▸	GIPR	P48546	1/20	0.54

▸	CALCR	P30988	3/20	0.53

▸	IL23R	Q5VWK5	1/20	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
SCHEMBL30712927	0.94	NPY2R (0.59)	OPRD1CRHR1CRHR2GLP1RGCGR
SCHEMBL29679964	0.92	OPRD1 (0.64)	OPRD1
SCHEMBL29679723	0.89	OPRD1 (0.55)	OPRD1
SCHEMBL29679773	0.88	OPRD1 (0.64)	OPRD1CRHR1CRHR2GLP1RGCGR
SCHEMBL31182956	0.85	NPY2R (0.65)	GLP1RGCGRGIPRCALCR
SCHEMBL30376042	0.85	CALCR (0.60)	OPRD1CRHR1CRHR2CALCR
SCHEMBL31598484	0.84	OPRD1 (0.65)	OPRD1
SCHEMBL31598477	0.83	OPRD1 (0.64)	OPRD1
SCHEMBL30320521	0.83	CALCR (0.60)	CALCR
SCHEMBL30844085	0.83	KEAP1 (0.64)	OPRD1CALCR

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
WO-2022069704-A2	IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS	INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE)	2022-04-07	—	—	WO	disclosed