SCHEMBL29733684

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 8)

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

▸	OPRL1	P41146	4/20	0.57

▸	BACE1	P56817	1/20	0.52

▸	OPRM1	P35372	2/20	0.52

▸	OPRD1	P41143	2/20	0.52

▸	OPRK1	P41145	2/20	0.52

▸	PTPN1	P18031	1/20	0.51

▸	KISS1R	Q969F8	1/20	0.51

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
SCHEMBL30662329	0.93	TFPI (0.61)	TFPIOPRL1BACE1OPRM1OPRD1
SCHEMBL30130346	0.91	BACE1 (0.57)	TFPIBACE1PTPN1
SCHEMBL29419011	0.90	TFPI (0.57)	TFPIOPRL1OPRM1OPRD1OPRK1
SCHEMBL29525489	0.90	TFPI (0.63)	TFPIOPRM1OPRD1OPRK1
SCHEMBL31484077	0.90	BACE1 (0.58)	BACE1PTPN1
SCHEMBL31480024	0.88	OPRL1 (0.63)	TFPIOPRL1BACE1OPRM1OPRD1
SCHEMBL30436109	0.88	TFPI (0.66)	TFPIOPRL1
SCHEMBL29526062	0.88	TFPI (0.64)	TFPIBACE1OPRM1OPRD1OPRK1
SCHEMBL30642059	0.88	TFPI (0.66)	TFPIOPRL1
SCHEMBL30435346	0.88	TFPI (0.66)	TFPIOPRL1

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
EP-3986914-A1	CONSTRAINED PEPTIDES	TearSolutions, Inc. (US)	2022-04-27	—	—	EP	disclosed