SCHEMBL30737872

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.77

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	9/20	0.77

▸	NPY2R	P49146	4/20	0.73

▸	NPY4R	P50391	4/20	0.73

▸	NPY5R	Q15761	4/20	0.73

▸	NPY1R	P25929	3/20	0.73

▸	CALCA	P06881	2/20	0.69

▸	GLP1R	P43220	3/20	0.68

▸	RAMP3	O60896	1/20	0.66

▸	CALCR	P30988	1/20	0.66

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
SCHEMBL29355231	0.90	NPY1R (0.76)	CXCR4NPY2RNPY4RNPY5RNPY1R
Water SCHEMBL29941416	0.90	NPY1R (0.75)	CXCR4NPY2RNPY4RNPY5RNPY1R
Acetic Acid SCHEMBL29399515	0.90	NPY1R (0.75)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL29437878	0.89	CXCR4 (0.91)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL29437879	0.89	CXCR4 (0.91)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL29416049	0.89	NPY2R (0.75)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30692431	0.89	NPY2R (0.75)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30527942	0.89	NPY2R (0.75)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL31060386	0.89	CALCA (0.75)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL29843747	0.88	NPY1R (0.73)	CXCR4NPY2RNPY4RNPY5RNPY1R

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
EP-4554610-A1	METHODS OF TREATING MALIGNANT GLIOMAS	Targepeutics, Inc. (US)	2025-05-21	—	—	EP	claimed
WO-2024015678-A1	METHODS OF TREATING MALIGNANT GLIOMAS	TARGEPEUTICS, INC. (US)	2024-01-18	—	—	WO	claimed