SCHEMBL29679575

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

nearest known ligand 0.52

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	RAMP3	O60896	7/20	0.52

▸	CALCR	P30988	7/20	0.52

▸	OPRM1	P35372	6/20	0.50

▸	OPRK1	P41145	6/20	0.50

▸	KDM1A	O60341	2/20	0.48

▸	STAT3	P40763	1/20	0.48

▸	KEAP1	Q14145	1/20	0.46

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
SCHEMBL29679558	0.94	OPRM1 (0.52)	RAMP3CALCROPRM1OPRK1KDM1A
SCHEMBL29680174	0.93	RAMP3 (0.52)	RAMP3CALCROPRM1OPRK1
SCHEMBL29612003	0.92	STAT3 (0.51)	OPRM1OPRK1STAT3
SCHEMBL30974406	0.90	RAMP3 (0.55)	RAMP3CALCRKDM1A
SCHEMBL29611483	0.88	MAPK8 (0.51)	RAMP3CALCROPRM1OPRK1
SCHEMBL30974226	0.88	RAMP3 (0.50)	RAMP3CALCRKDM1AKEAP1
SCHEMBL29679604	0.88	RAMP3 (0.57)	RAMP3CALCR
SCHEMBL30345087	0.87	OPRM1 (0.53)	OPRM1OPRK1KDM1A
SCHEMBL31590961	0.87	OPRM1 (0.53)	OPRM1OPRK1KDM1A
SCHEMBL30974402	0.87	NPY2R (0.55)	RAMP3CALCROPRM1OPRK1KDM1A

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