SCHEMBL29679507

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

nearest known ligand 0.66

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	SLC6A2	P23975	1/20	0.61

▸	CALCRL	Q16602	2/20	0.57

▸	OPRM1	P35372	5/20	0.56

▸	OPRD1	P41143	6/20	0.55

▸	OPRK1	P41145	3/20	0.54

▸	AGTR1	P30556	1/20	0.54

▸	AGTR2	P50052	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
SCHEMBL29679939	0.95	SLC6A2 (0.57)	SLC6A2CALCRLOPRM1OPRD1OPRK1
SCHEMBL29679999	0.95	CALCRL (0.55)	SLC6A2CALCRLAGTR1AGTR2
SCHEMBL29680100	0.93	F2 (0.56)	SLC6A2CALCRLOPRM1OPRD1OPRK1
SCHEMBL29680141	0.91	NPY2R (0.57)	CALCRLAGTR1AGTR2
SCHEMBL29679909	0.89	NPY2R (0.56)	CALCRLAGTR1AGTR2
SCHEMBL31575703	0.88	NTSR1 (0.60)	SLC6A2OPRM1OPRD1OPRK1
SCHEMBL29530789	0.88	SLC6A2 (0.70)	SLC6A2CALCRLOPRM1OPRD1OPRK1
SCHEMBL29530950	0.88	SLC6A2 (0.70)	SLC6A2CALCRLOPRM1OPRD1OPRK1
SCHEMBL31362624	0.87	SLC6A2 (0.59)	SLC6A2OPRM1OPRD1OPRK1AGTR1
SCHEMBL31415946	0.87	SLC6A2 (0.63)	SLC6A2CALCRLOPRM1OPRD1OPRK1

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	claimed