SCHEMBL29680138

CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	6/20	0.58

▸	RAMP1	O60894	1/20	0.58

▸	OPRD1	P41143	5/20	0.50

▸	OPRM1	P35372	4/20	0.50

▸	SLC6A2	P23975	2/20	0.49

▸	ANPEP	P15144	1/20	0.46

▸	LNPEP	Q9UIQ6	1/20	0.46

▸	F2	P00734	1/20	0.46

▸	NTSR2	O95665	1/20	0.45

▸	NTSR1	P30989	1/20	0.45

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
SCHEMBL29679870	0.84	MAPK8 (0.54)	CALCRLRAMP1
SCHEMBL29679821	0.84	MAPK8 (0.63)	CALCRLRAMP1
SCHEMBL30176506	0.84	NPY2R (0.63)	F2
SCHEMBL29392795	0.84	CALCRL (0.55)	CALCRLRAMP1OPRD1OPRM1
SCHEMBL29392282	0.84	CALCRL (0.58)	CALCRLRAMP1OPRD1OPRM1SLC6A2
SCHEMBL29392890	0.82	CALCRL (0.56)	CALCRLRAMP1OPRD1OPRM1F2
SCHEMBL30275918	0.82	CALCRL (0.47)	CALCRLRAMP1NTSR1
SCHEMBL30186419	0.82	CALCRL (0.58)	CALCRLRAMP1OPRD1OPRM1
SCHEMBL30186430	0.82	CALCRL (0.61)	CALCRLRAMP1OPRD1OPRM1
SCHEMBL31366789	0.81	OPRM1 (0.54)	OPRD1OPRM1SLC6A2F2

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