SCHEMBL9073974

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

nearest known ligand 0.72

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	9/20	0.72

▸	RXFP1	Q9HBX9	1/20	0.66

▸	NPY1R	P25929	1/20	0.66

▸	NPY2R	P49146	1/20	0.66

▸	NPY4R	P50391	1/20	0.66

▸	NPY5R	Q15761	1/20	0.66

▸	GLP1R	P43220	3/20	0.64

▸	PTH1R	Q03431	4/20	0.62

▸	KEAP1	Q14145	1/20	0.61

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
SCHEMBL30658277	0.91	NPY2R (0.75)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29410243	0.91	CXCR4 (0.72)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30436894	0.91	CXCR4 (0.69)	CXCR4RXFP1NPY1RNPY2RNPY4R
SCHEMBL30824296	0.91	NPY2R (0.74)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30712904	0.91	CXCR4 (0.68)	CXCR4RXFP1NPY1RNPY2RNPY4R
SCHEMBL31182745	0.91	NPY1R (0.71)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29949636	0.90	NPY1R (0.71)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29430205	0.90	NPY1R (0.65)	CXCR4RXFP1NPY1RNPY2RNPY4R
SCHEMBL31183030	0.90	NPY1R (0.67)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29352195	0.90	NPY2R (0.70)	CXCR4NPY1RNPY2RNPY4RNPY5R

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
US-5519000-A	OLIGOPEPTIDE	CENTECOR, INC. (US)	1996-05-21	—	—	US	disclosed
WO-1995026744-A1	TUMOR NECROSIS FACTOR INHIBITORS	CENTOCOR, INC. (US)	1995-10-12	—	—	WO	disclosed