SCHEMBL31174229

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

nearest known ligand 0.57

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.57

▸	KDM1A	O60341	3/20	0.50

▸	F2	P00734	4/20	0.50

▸	HCRTR1	O43613	1/20	0.50

▸	HCRTR2	O43614	1/20	0.50

▸	CRHR1	P34998	1/20	0.50

▸	CRHR2	Q13324	1/20	0.50

▸	MAOB	P27338	1/20	0.49

▸	KDM5A	P29375	1/20	0.49

▸	KDM1B	Q8NB78	1/20	0.49

▸	APLNR	P35414	1/20	0.48

▸	MC4R	P32245	1/20	0.48

▸	CCKBR	P32239	2/20	0.47

▸	GLP1R	P43220	2/20	0.47

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
SCHEMBL30414513	0.88	CALCR (0.59)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL31000939	0.86	CALCR (0.57)	CALCRHCRTR1HCRTR2CRHR1CRHR2
SCHEMBL30906480	0.86	CALCR (0.57)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30165153	0.86	MC4R (0.47)	CALCRF2APLNRMC4R
SCHEMBL31041719	0.86	CALCR (0.55)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30945136	0.85	CALCR (0.69)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30382943	0.85	F2 (0.53)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30432803	0.85	CALCR (0.64)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL31041756	0.84	CALCR (0.52)	CALCRF2HCRTR1HCRTR2APLNR
SCHEMBL29416087	0.84	CALCR (0.65)	CALCRF2HCRTR1HCRTR2CRHR1

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
CN-118853746-A	Application of brassica BnNST gene in improving crack resistance of brassica napus	中国农业科学院油料作物研究所	2024-10-29	—	—	CN	disclosed