SCHEMBL31622295

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	10/20	0.64

▸	C5AR1	P21730	1/20	0.62

▸	CALCA	P06881	2/20	0.58

▸	GLP1R	P43220	6/20	0.56

▸	GIPR	P48546	6/20	0.56

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
SCHEMBL31622299	0.92	CXCR4 (0.66)	CXCR4C5AR1
SCHEMBL31255934	0.92	CXCR4 (0.66)	CXCR4C5AR1CALCAGLP1R
SCHEMBL31433213	0.89	CXCR4 (0.59)	CXCR4C5AR1GLP1R
SCHEMBL31182835	0.87	CXCR4 (0.62)	CXCR4CALCAGLP1RGIPR
SCHEMBL29625324	0.87	CXCR4 (0.63)	CXCR4CALCAGLP1R
SCHEMBL31593385	0.87	CXCR4 (0.58)	CXCR4C5AR1
SCHEMBL31593375	0.87	CXCR4 (0.58)	CXCR4C5AR1
SCHEMBL30666394	0.87	CXCR4 (0.63)	CXCR4C5AR1CALCAGLP1R
SCHEMBL30883231	0.87	CXCR4 (0.68)	CXCR4C5AR1CALCAGLP1R
SCHEMBL30512621	0.87	CXCR4 (0.64)	CXCR4C5AR1CALCA

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-120157742-A	Double-anchored enzyme response polypeptide and preparation method and application thereof	华南理工大学	2025-06-17	—	—	CN	disclosed