SCHEMBL29945130

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

nearest known ligand 0.67

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	2/20	0.67

▸	CTSL	P07711	2/20	0.57

▸	CTSS	P25774	2/20	0.57

▸	CTSK	P43235	2/20	0.57

▸	CTSH	P09668	1/20	0.57

▸	GLP1R	P43220	3/20	0.57

▸	GCGR	P47871	3/20	0.57

▸	MC4R	P32245	1/20	0.56

▸	CALCR	P30988	9/20	0.55

▸	RAMP3	O60896	6/20	0.54

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
SCHEMBL30431303	0.87	RAMP3 (0.61)	APLNRMC4RCALCRRAMP3
SCHEMBL29526046	0.87	APLNR (0.64)	APLNRMC4R
SCHEMBL29525577	0.87	APLNR (0.64)	APLNRMC4R
SCHEMBL30906485	0.87	CALCR (0.67)	GLP1RGCGRCALCR
SCHEMBL30884601	0.87	APLNR (0.58)	APLNRCALCRRAMP3
SCHEMBL29525492	0.87	APLNR (0.64)	APLNRMC4R
SCHEMBL30431287	0.87	MC4R (0.57)	APLNRCTSLCTSSCTSKCTSH
SCHEMBL30432876	0.85	APLNR (0.55)	APLNRCTSLCTSSCTSKCTSH
SCHEMBL29669783	0.85	APLNR (0.78)	APLNRGLP1RGCGRMC4R
SCHEMBL29598921	0.85	APLNR (0.78)	APLNRGLP1RGCGRMC4R

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-113773368-B	FOXM1 antagonistic polypeptide and derivative and application thereof	清华大学深圳国际研究生院	2022-11-15	—	—	CN	disclosed