SCHEMBL31130603

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)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 0.56

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	MC4R	P32245	1/20	0.56

▸	CALCR	P30988	5/20	0.56

▸	F2	P00734	4/20	0.54

▸	CRHR1	P34998	1/20	0.54

▸	CRHR2	Q13324	1/20	0.54

▸	HCRTR1	O43613	1/20	0.53

▸	HCRTR2	O43614	1/20	0.53

▸	RAMP3	O60896	1/20	0.50

▸	NPY2R	P49146	3/20	0.49

▸	NPY4R	P50391	3/20	0.49

▸	NPY5R	Q15761	3/20	0.49

▸	NPY1R	P25929	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
SCHEMBL31130616	0.97	MC4R (0.57)	MC4RCALCRF2CRHR1CRHR2
SCHEMBL29860218	0.88	MC4R (0.64)	MC4RCALCRF2RAMP3NPY2R
SCHEMBL30414513	0.88	CALCR (0.59)	MC4RCALCRF2CRHR1CRHR2
SCHEMBL31182603	0.87	CALCR (0.62)	MC4RCALCRF2CRHR1CRHR2
SCHEMBL30436793	0.87	NPY2R (0.63)	MC4RCALCRRAMP3NPY2RNPY4R
SCHEMBL29679847	0.87	F2 (0.63)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30997464	0.86	F2 (0.60)	CALCRF2CRHR1CRHR2RAMP3
SCHEMBL30712932	0.86	F2 (0.65)	MC4RCALCRF2CRHR1CRHR2
SCHEMBL31000937	0.86	F2 (0.63)	MC4RCALCRF2CRHR1CRHR2
SCHEMBL30176473	0.86	CALCR (0.64)	CALCRF2CRHR1CRHR2HCRTR1

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	claimed