SCHEMBL29679928

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](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)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 0.60

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.60

▸	OPRM1	P35372	6/20	0.57

▸	OPRD1	P41143	6/20	0.57

▸	OPRK1	P41145	5/20	0.57

▸	VIPR1	P32241	1/20	0.56

▸	GLP1R	P43220	2/20	0.55

▸	VIPR2	P41587	1/20	0.53

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
SCHEMBL31000935	0.94	TFPI (0.65)	TFPIOPRM1OPRD1OPRK1VIPR1
SCHEMBL29373287	0.93	TFPI (0.66)	TFPIOPRM1OPRD1OPRK1VIPR1
SCHEMBL29679580	0.93	TFPI (0.58)	TFPIOPRM1OPRD1OPRK1GLP1R
SCHEMBL29461368	0.91	BACE1 (0.60)	TFPI
SCHEMBL29373682	0.91	TFPI (0.68)	TFPIOPRM1OPRD1OPRK1VIPR1
SCHEMBL38665934	0.91	OPRD1 (0.57)	OPRM1OPRD1OPRK1
SCHEMBL29365490	0.91	TFPI (0.62)	TFPIOPRM1OPRD1OPRK1VIPR1
SCHEMBL31683259	0.90	TFPI (0.64)	TFPIOPRM1OPRD1OPRK1VIPR1
SCHEMBL31182918	0.90	TFPI (0.64)	TFPIOPRM1OPRD1OPRK1VIPR1
SCHEMBL30512711	0.90	TFPI (0.60)	TFPIOPRM1OPRD1OPRK1

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