SCHEMBL29897130

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

nearest known ligand 0.59

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	4/20	0.55

▸	ECE1	P42892	1/20	0.55

▸	MUS81	Q96NY9	1/20	0.55

▸	OPRL1	P41146	2/20	0.55

▸	KEAP1	Q14145	1/20	0.53

▸	VIPR1	P32241	2/20	0.53

▸	OPRM1	P35372	1/20	0.52

▸	OPRD1	P41143	1/20	0.52

▸	OPRK1	P41145	1/20	0.52

▸	VIPR2	P41587	1/20	0.52

▸	TFPI	P10646	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
SCHEMBL30973989	0.89	OPRM1 (0.57)	OPRL1KEAP1OPRM1OPRD1OPRK1
SCHEMBL30974472	0.88	TFPI (0.58)	GLP1RECE1MUS81VIPR1OPRM1
SCHEMBL30139095	0.88	PTH1R (0.59)	GLP1RECE1MUS81KEAP1VIPR1
SCHEMBL30608554	0.88	VIPR1 (0.61)	GLP1RECE1MUS81VIPR1VIPR2
SCHEMBL29417385	0.86	PTH1R (0.54)	GLP1RECE1MUS81VIPR1VIPR2
SCHEMBL30139094	0.86	PTH1R (0.57)	GLP1RECE1MUS81VIPR1TFPI
SCHEMBL30648475	0.86	GLP1R (0.61)	GLP1RECE1MUS81VIPR1OPRM1
SCHEMBL29531101	0.85	TFPI (0.69)	GLP1RECE1MUS81VIPR1VIPR2
SCHEMBL8973582	0.85	TFPI (0.59)	GLP1RECE1MUS81OPRL1KEAP1
SCHEMBL30974327	0.85	TFPI (0.53)	GLP1RECE1MUS81OPRL1KEAP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-111732633-B	Antitumor polypeptide and application thereof in preparation of antitumor drugs	湖南中医药大学	2023-05-02	—	—	CN	disclosed
CN-111574587-B	Polypeptide extracted from Scolopendra and its application in preparing antitumor drugs	湖南中医药大学	2022-08-30	—	—	CN	disclosed