SCHEMBL29679580

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.58

▸	OPRM1	P35372	6/20	0.56

▸	OPRD1	P41143	6/20	0.56

▸	OPRK1	P41145	5/20	0.56

▸	OPRL1	P41146	1/20	0.53

▸	KISS1R	Q969F8	3/20	0.52

▸	GLP1R	P43220	1/20	0.52

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
SCHEMBL29679928	0.93	TFPI (0.60)	TFPIOPRM1OPRD1OPRK1GLP1R
SCHEMBL30861917	0.89	TFPI (0.61)	TFPIOPRM1OPRD1OPRK1GLP1R
SCHEMBL30861920	0.89	TFPI (0.65)	TFPIGLP1R
SCHEMBL30836920	0.89	TFPI (0.66)	TFPIGLP1R
SCHEMBL30576973	0.89	GLP1R (0.64)	TFPIGLP1R
SCHEMBL30498562	0.89	TFPI (0.60)	TFPIGLP1R
SCHEMBL31683259	0.88	TFPI (0.64)	TFPIOPRM1OPRD1OPRK1KISS1R
SCHEMBL30116701	0.87	TFPI (0.63)	TFPI
SCHEMBL30844083	0.87	OPRM1 (0.61)	TFPIOPRM1OPRD1OPRK1KISS1R
SCHEMBL31000935	0.87	TFPI (0.65)	TFPIOPRM1OPRD1OPRK1GLP1R

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