SCHEMBL30199257

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	7/20	0.57

▸	MAPK8	P45983	1/20	0.55

▸	MAPK9	P45984	1/20	0.55

▸	MAPK10	P53779	1/20	0.55

▸	NPY1R	P25929	1/20	0.51

▸	NPY2R	P49146	1/20	0.51

▸	NPY4R	P50391	1/20	0.51

▸	NPY5R	Q15761	1/20	0.51

▸	GLP1R	P43220	3/20	0.48

▸	CCKBR	P32239	2/20	0.48

▸	TACR1	P25103	1/20	0.48

▸	CAPN1	P07384	2/20	0.47

▸	CTSB	P07858	2/20	0.47

▸	CXCL8	P10145	2/20	0.47

▸	F2	P00734	1/20	0.46

▸	PRLHR	P49683	1/20	0.46

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
SCHEMBL30257218	0.92	CXCR4 (0.61)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30257775	0.90	CXCR4 (0.56)	CXCR4MAPK8MAPK9MAPK10NPY1R
SCHEMBL29450810	0.84	CAPN1 (0.54)	CXCR4TACR1CAPN1CTSBCXCL8
SCHEMBL29678654	0.82	CXCR4 (0.60)	CXCR4MAPK8MAPK9MAPK10NPY1R
SCHEMBL29679068	0.82	CXCR4 (0.60)	CXCR4MAPK8MAPK9MAPK10NPY1R
SCHEMBL30256961	0.82	CXCR4 (0.59)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29904962	0.82	CXCR4 (0.62)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30199355	0.82	CXCR4 (0.61)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30199081	0.81	CAPN1 (0.54)	CXCR4CAPN1CTSB
SCHEMBL30974510	0.80	CXCR4 (0.63)	CXCR4MAPK8MAPK9MAPK10NPY1R

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
EP-4121547-A1	METHODS AND BIOLOGICAL SYSTEMS FOR DISCOVERING AND OPTIMIZING LASSO PEPTIDES	Lassogen, Inc. (US)	2023-01-25	—	—	EP	disclosed