SCHEMBL9740766

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

nearest known ligand 0.54

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	9/20	0.54

▸	CTSL	P07711	3/20	0.49

▸	CTSS	P25774	3/20	0.49

▸	CTSK	P43235	3/20	0.49

▸	CTSH	P09668	1/20	0.49

▸	GLP1R	P43220	4/20	0.49

▸	GCGR	P47871	2/20	0.49

▸	GIPR	P48546	2/20	0.49

▸	TACR2	P21452	3/20	0.48

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
SCHEMBL9740739	1.00	CXCR4 (0.54)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL3089689	0.91	CXCR4 (0.57)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL3089699	0.91	CXCR4 (0.57)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29463731	0.89	CXCR4 (0.58)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31593382	0.84	CXCR4 (0.62)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL14583957	0.84	TACR2 (0.52)	CXCR4TACR2
SCHEMBL8937035	0.83	CXCR4 (0.56)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31593369	0.83	CXCR4 (0.60)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31208374	0.82	C5AR1 (0.58)	CXCR4
SCHEMBL31593384	0.82	CXCR4 (0.61)	CXCR4CTSLCTSSCTSKCTSH

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-5171271-A	Polypeptides with fibronectin activity	REGENTS OF THE UNIVERSITY OF MINNESOTA (US)	1992-12-15	—	—	US	disclosed
US-5019646-A	Polypeptides with fibronectin activity	REGENTS OF THE UNIVERSITY OF MINNESOTA (US)	1991-05-28	—	—	US	disclosed