SCHEMBL20438937

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O

nearest known ligand 0.68

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	6/20	0.68

▸	KRAS	P01116	13/20	0.59

▸	SSTR2	P30874	1/20	0.55

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
SCHEMBL31692775	0.96	CXCR4 (0.73)	CXCR4KRASSSTR2
SCHEMBL29466599	0.96	CXCR4 (0.73)	CXCR4KRASSSTR2
SCHEMBL29370908	0.96	CXCR4 (0.73)	CXCR4KRASSSTR2
SCHEMBL20438936	0.93	CXCR4 (0.62)	CXCR4KRAS
Motixafortide SCHEMBL24090760	0.93	CXCR4 (0.65)	CXCR4KRASSSTR2
Motixafortide SCHEMBL29367811	0.93	CXCR4 (0.65)	CXCR4KRASSSTR2
SCHEMBL29466605	0.93	CXCR4 (0.71)	CXCR4KRASSSTR2
Motixafortide SCHEMBL26667068	0.93	CXCR4 (0.65)	CXCR4KRASSSTR2
SCHEMBL29385707	0.93	CXCR4 (0.77)	CXCR4
SCHEMBL15987184	0.93	CXCR4 (0.77)	CXCR4

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-20180216060-A1	METHODS AND MEANS FOR THE MODIFICATION OF CELL SURFACES	ACADEMISCH ZIEKENHUIS LEIDEN (ALSO ACTING UNDER TH E NAME OF LEIDEN UNIVERSITY MEDICAL CENTER) (NL)	2018-08-02	—	—	US	disclosed