SCHEMBL30712968

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

nearest known ligand 0.75

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.75

▸	CRHR1	P34998	1/20	0.64

▸	CRHR2	Q13324	1/20	0.64

▸	F2	P00734	4/20	0.61

▸	APLNR	P35414	2/20	0.61

▸	GLP1R	P43220	4/20	0.58

▸	GCGR	P47871	3/20	0.58

▸	CXCR4	P61073	1/20	0.57

▸	CCKBR	P32239	1/20	0.57

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
SCHEMBL31182637	0.91	CALCR (0.77)	CALCRCRHR1CRHR2F2GLP1R
SCHEMBL31653878	0.88	CALCR (0.75)	CALCRCRHR1CRHR2F2APLNR
SCHEMBL29794830	0.88	CALCR (0.76)	CALCRCRHR1CRHR2F2APLNR
SCHEMBL29973317	0.88	CALCR (0.92)	CALCRCRHR1CRHR2F2GLP1R
SCHEMBL29413135	0.88	CALCR (0.76)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL29624204	0.88	CALCR (0.76)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL30524366	0.87	CALCR (0.70)	CALCRCRHR1CRHR2APLNRGLP1R
SCHEMBL30658343	0.87	CALCR (0.81)	CALCRCRHR1CRHR2F2GLP1R
SCHEMBL31182779	0.87	CALCR (0.83)	CALCRCRHR1CRHR2F2GLP1R
SCHEMBL31041741	0.87	CALCR (0.65)	CALCRCRHR1CRHR2F2APLNR

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
US-20240003881-A1	SYSTEM AND METHOD FOR RAPID AND SENSITIVE DETECTION OF ANTI-PATHOGEN ANTIBODIES	THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA)	2024-01-04	—	—	US	disclosed