SCHEMBL29679558

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)O

nearest known ligand 0.52

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	9/20	0.52

▸	OPRK1	P41145	9/20	0.52

▸	RAMP3	O60896	5/20	0.50

▸	CALCR	P30988	5/20	0.50

▸	KDM1A	O60341	1/20	0.48

▸	NMUR2	Q9GZQ4	2/20	0.47

▸	NMUR1	Q9HB89	2/20	0.47

▸	APLNR	P35414	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
SCHEMBL29679575	0.94	RAMP3 (0.52)	OPRM1OPRK1RAMP3CALCRKDM1A
SCHEMBL31590961	0.93	OPRM1 (0.53)	OPRM1OPRK1KDM1ANMUR2NMUR1
SCHEMBL30345087	0.93	OPRM1 (0.53)	OPRM1OPRK1KDM1ANMUR2NMUR1
SCHEMBL31285039	0.92	OPRM1 (0.50)	OPRM1OPRK1RAMP3CALCRKDM1A
SCHEMBL30785127	0.91	OPRM1 (0.51)	OPRM1OPRK1RAMP3CALCRKDM1A
SCHEMBL30844324	0.90	OPRM1 (0.51)	OPRM1OPRK1RAMP3CALCRAPLNR
SCHEMBL29421084	0.89	OPRM1 (0.52)	OPRM1OPRK1RAMP3CALCRNMUR2
SCHEMBL29607129	0.89	OPRM1 (0.55)	OPRM1OPRK1NMUR2NMUR1
SCHEMBL29607555	0.89	OPRM1 (0.55)	OPRM1OPRK1NMUR2NMUR1
SCHEMBL29607822	0.89	OPRM1 (0.53)	OPRM1OPRK1APLNR

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