SCHEMBL30537032

CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.78

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.78

▸	GLP1R	P43220	10/20	0.70

▸	CCKBR	P32239	4/20	0.70

▸	CRHR1	P34998	1/20	0.66

▸	CRHR2	Q13324	1/20	0.66

▸	GCGR	P47871	3/20	0.66

▸	NMBR	P28336	1/20	0.64

▸	GRPR	P30550	1/20	0.64

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
SCHEMBL30658354	0.94	CALCR (0.79)	CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL30771981	0.94	CALCR (0.77)	CALCRGLP1RCCKBRGCGR
SCHEMBL31148884	0.94	CALCR (0.79)	CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL30537029	0.93	GLP1R (0.72)	CALCRGLP1RCCKBR
SCHEMBL30658401	0.92	CALCR (0.75)	CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL31182914	0.92	CALCR (0.69)	CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL31027131	0.92	CALCR (0.76)	CALCRGLP1RCCKBRGCGR
SCHEMBL31217658	0.92	CALCR (0.75)	CALCRGLP1RCCKBRGCGR
SCHEMBL29827295	0.92	CALCR (0.73)	CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL30721596	0.91	CALCR (0.74)	CALCRGLP1RCCKBRGCGR

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-112759632-B	Preparation method of Sylvestin	昆明龙津药业股份有限公司	2023-08-18	—	—	CN	disclosed