SCHEMBL29499672

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

nearest known ligand 0.55

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.55

▸	TFPI	P10646	1/20	0.55

▸	GLP1R	P43220	10/20	0.54

▸	CRHR1	P34998	1/20	0.54

▸	CRHR2	Q13324	1/20	0.54

▸	SCTR	P47872	1/20	0.53

▸	CCKBR	P32239	1/20	0.53

▸	GRPR	P30550	2/20	0.51

▸	NMBR	P28336	1/20	0.51

▸	IL23R	Q5VWK5	1/20	0.51

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
SCHEMBL29499670	0.97	CALCR (0.56)	CALCRTFPIGLP1RCRHR1CRHR2
SCHEMBL30607430	0.89	CALCR (0.64)	CALCRTFPIGLP1RCRHR1CRHR2
SCHEMBL30950137	0.88	TFPI (0.55)	CALCRTFPIGLP1RCRHR1CRHR2
SCHEMBL30209777	0.87	GLP1R (0.50)	CALCRTFPIGLP1RCRHR1CRHR2
SCHEMBL30538628	0.86	TFPI (0.68)	TFPIGLP1RSCTR
SCHEMBL29622989	0.85	GLP1R (0.65)	TFPIGLP1RSCTR
SCHEMBL29692871	0.85	GLP1R (0.69)	GLP1RSCTR
SCHEMBL30053976	0.85	GLP1R (0.69)	GLP1RSCTR
SCHEMBL31291000	0.85	GLP1R (0.69)	GLP1RSCTR
SCHEMBL29692863	0.85	GLP1R (0.69)	GLP1RSCTR

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-11319374-B2	Inhibitors of prototypic galectin dimerization and uses thereof	INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA)	2022-05-03	—	—	US	disclosed