SCHEMBL29680100

C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)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

nearest known ligand 0.56

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	3/20	0.56

▸	OPRM1	P35372	2/20	0.55

▸	CALCRL	Q16602	5/20	0.54

▸	SLC6A2	P23975	1/20	0.52

▸	ACE	P12821	1/20	0.49

▸	RAMP1	O60894	1/20	0.49

▸	OPRD1	P41143	1/20	0.47

▸	OPRK1	P41145	1/20	0.47

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
SCHEMBL29679999	0.94	CALCRL (0.55)	F2CALCRLSLC6A2ACERAMP1
SCHEMBL29679507	0.93	SLC6A2 (0.61)	OPRM1CALCRLSLC6A2OPRD1OPRK1
SCHEMBL29679939	0.91	SLC6A2 (0.57)	OPRM1CALCRLSLC6A2OPRD1OPRK1
SCHEMBL31415946	0.88	SLC6A2 (0.63)	F2OPRM1CALCRLSLC6A2ACE
SCHEMBL29680141	0.86	NPY2R (0.57)	F2CALCRL
SCHEMBL31575697	0.86	CALCRL (0.63)	OPRM1CALCRLRAMP1OPRD1OPRK1
SCHEMBL31362624	0.85	SLC6A2 (0.59)	F2OPRM1SLC6A2OPRD1OPRK1
SCHEMBL29641795	0.85	CALCRL (0.60)	OPRM1CALCRLSLC6A2RAMP1OPRD1
SCHEMBL31415956	0.85	SLC6A2 (0.61)	F2CALCRLSLC6A2ACERAMP1
SCHEMBL30658558	0.84	F2 (0.56)	F2OPRM1CALCRLSLC6A2ACE

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