SCHEMBL29593786

CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	VIPR1	P32241	3/20	0.48

▸	VIPR2	P41587	5/20	0.47

▸	TFPI	P10646	1/20	0.46

▸	GLP1R	P43220	1/20	0.45

▸	GCGR	P47871	1/20	0.45

▸	GIPR	P48546	1/20	0.45

▸	RAMP3	O60896	3/20	0.45

▸	CALCR	P30988	3/20	0.45

▸	CXCR4	P61073	1/20	0.44

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
SCHEMBL29856153	0.91	TFPI (0.47)	VIPR1VIPR2TFPIGLP1RGCGR
SCHEMBL30179580	0.91	VIPR1 (0.53)	VIPR1VIPR2GLP1R
SCHEMBL31462925	0.89	VIPR1 (0.51)	VIPR1VIPR2TFPIGLP1RGCGR
SCHEMBL8973565	0.89	TFPI (0.50)	VIPR1VIPR2TFPI
SCHEMBL30262128	0.88	VIPR2 (0.52)	VIPR1VIPR2TFPIGLP1RGCGR
SCHEMBL30512593	0.88	VIPR1 (0.47)	VIPR1VIPR2CXCR4
SCHEMBL29473688	0.87	TFPI (0.51)	VIPR1VIPR2TFPIGLP1RGCGR
SCHEMBL30681588	0.87	VIPR2 (0.49)	VIPR1VIPR2TFPI
SCHEMBL29453356	0.87	VIPR2 (0.52)	VIPR1VIPR2TFPI
SCHEMBL30327333	0.86	NPY4R (0.45)	—

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
CN-113549143-B	Anti-tumor polypeptide Bax-BH3, fluorescent polymer nano micelle and preparation method and application thereof	吉林大学	2022-05-27	—	—	CN	disclosed