SCHEMBL31130616

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	MC4R	P32245	1/20	0.57

▸	CALCR	P30988	5/20	0.54

▸	F2	P00734	4/20	0.53

▸	CRHR1	P34998	1/20	0.53

▸	CRHR2	Q13324	1/20	0.53

▸	HCRTR1	O43613	1/20	0.52

▸	HCRTR2	O43614	1/20	0.52

▸	NTSR2	O95665	2/20	0.50

▸	NTSR1	P30989	2/20	0.50

▸	SORT1	Q99523	2/20	0.50

▸	RAMP3	O60896	1/20	0.49

▸	C5AR1	P21730	1/20	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
SCHEMBL31130603	0.97	MC4R (0.56)	MC4RCALCRF2CRHR1CRHR2
SCHEMBL30824284	0.89	CALCR (0.64)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30906000	0.88	C5AR1 (0.58)	MC4RCALCRRAMP3C5AR1
SCHEMBL30209621	0.88	F2 (0.60)	MC4RCALCRF2NTSR1
SCHEMBL30997464	0.87	F2 (0.60)	CALCRF2CRHR1CRHR2NTSR1
SCHEMBL30382943	0.87	F2 (0.53)	MC4RCALCRF2CRHR1CRHR2
SCHEMBL30414513	0.87	CALCR (0.59)	MC4RCALCRF2CRHR1CRHR2
SCHEMBL29679847	0.87	F2 (0.63)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30445781	0.86	NMUR2 (0.57)	MC4RNTSR2NTSR1SORT1
SCHEMBL31182603	0.86	CALCR (0.62)	MC4RCALCRF2CRHR1CRHR2

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
WO-2024189611-A1	STABILIZED ANALOGUES OF CALCITONIN	YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL)	2024-09-19	—	—	WO	disclosed