SCHEMBL29798291

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NCC(=O)O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.54

▸	F2	P00734	4/20	0.53

▸	CALCRL	Q16602	5/20	0.53

▸	CRHR1	P34998	1/20	0.52

▸	CRHR2	Q13324	1/20	0.52

▸	NMBR	P28336	2/20	0.49

▸	GRPR	P30550	2/20	0.49

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
SCHEMBL29798261	0.88	C5AR1 (0.60)	CALCR
SCHEMBL29798188	0.87	C5AR1 (0.60)	CALCR
SCHEMBL30272533	0.86	F2 (0.56)	CALCRF2CRHR1CRHR2NMBR
SCHEMBL38662213	0.86	CALCR (0.60)	CALCRF2CRHR1CRHR2
SCHEMBL30607380	0.86	CALCR (0.63)	CALCRF2CRHR1CRHR2
SCHEMBL30477485	0.86	REN (0.55)	CALCRF2CALCRLNMBRGRPR
SCHEMBL29437929	0.86	REN (0.55)	CALCRF2CALCRLNMBRGRPR
SCHEMBL30477486	0.86	REN (0.55)	CALCRF2CALCRLNMBRGRPR
SCHEMBL30692437	0.85	REN (0.51)	F2CALCRL
SCHEMBL30272452	0.84	F2 (0.56)	CALCRF2CRHR1CRHR2NMBR

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-20220259265-A1	Inhibitors and Use Thereof in Cancer Treatment	THE UNIVERSITY OF SYDNEY (AU)	2022-08-18	—	—	US	disclosed