SCHEMBL31255131

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	MC4R	P32245	1/20	0.64

▸	CALCR	P30988	5/20	0.63

▸	C5AR1	P21730	1/20	0.63

▸	TFPI	P10646	4/20	0.62

▸	RAMP1	O60894	1/20	0.61

▸	RAMP2	O60895	1/20	0.61

▸	RAMP3	O60896	1/20	0.61

▸	CALCRL	Q16602	1/20	0.61

▸	GLP1R	P43220	3/20	0.60

▸	GCGR	P47871	3/20	0.60

▸	CXCR4	P61073	2/20	0.60

▸	APLNR	P35414	1/20	0.59

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
SCHEMBL31167611	0.92	CALCR (0.71)	CALCRC5AR1TFPIGLP1RGCGR
SCHEMBL30429454	0.91	CALCR (0.62)	MC4RCALCRRAMP1RAMP2RAMP3
SCHEMBL29361541	0.90	CALCR (0.70)	CALCRTFPIGLP1RGCGR
SCHEMBL31167610	0.90	CALCR (0.71)	CALCRTFPIGLP1RGCGR
SCHEMBL30752380	0.90	CALCR (0.71)	CALCRTFPIGLP1RGCGR
SCHEMBL30752384	0.90	CALCR (0.71)	CALCRTFPIGLP1RGCGR
SCHEMBL30752386	0.89	CALCR (0.69)	CALCRTFPIGLP1RGCGR
SCHEMBL29522561	0.89	CALCR (0.69)	CALCRC5AR1TFPIGLP1RGCGR
SCHEMBL29783623	0.89	CALCR (0.75)	CALCRTFPIRAMP1RAMP2RAMP3
SCHEMBL29783622	0.89	CALCR (0.75)	CALCRTFPIRAMP1RAMP2RAMP3

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-118773141-A	Hybridoma cell strain for producing thymidine kinase 1 (TK 1) monoclonal antibody, antibody and colloidal gold test strip and application thereof	江南大学	2024-10-15	—	—	CN	disclosed