SCHEMBL29410243

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

nearest known ligand 0.72

Predicted protein targets (top 8)

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

▸	NPY1R	P25929	1/20	0.70

▸	NPY2R	P49146	1/20	0.70

▸	NPY4R	P50391	1/20	0.70

▸	NPY5R	Q15761	1/20	0.70

▸	GLP1R	P43220	7/20	0.64

▸	GCGR	P47871	1/20	0.63

▸	GIPR	P48546	1/20	0.63

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
SCHEMBL29352195	0.96	NPY2R (0.70)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182745	0.93	NPY1R (0.71)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29706348	0.92	CXCR4 (0.67)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29812760	0.92	NPY1R (0.67)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658240	0.92	NPY2R (0.74)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29949636	0.92	NPY1R (0.71)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658313	0.92	NPY2R (0.67)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658403	0.92	CXCR4 (0.71)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29949399	0.92	NPY2R (0.73)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182815	0.92	NPY2R (0.73)	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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-11274129-B2	Methods for protein tyrosine phosphorylation profiling with variant SH2 domains	Li, Shun-Cheng (CA)	2022-03-15	—	—	US	disclosed