SCHEMBL30767165

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.57

▸	GLP1R	P43220	1/20	0.56

▸	GCGR	P47871	1/20	0.56

▸	GIPR	P48546	1/20	0.56

▸	IL23R	Q5VWK5	2/20	0.55

▸	CALCR	P30988	3/20	0.54

▸	VIPR1	P32241	1/20	0.53

▸	OPRL1	P41146	1/20	0.53

▸	OPRM1	P35372	1/20	0.53

▸	OPRD1	P41143	1/20	0.53

▸	OPRK1	P41145	1/20	0.53

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
SCHEMBL29541665	0.97	TFPI (0.59)	TFPIGLP1RGCGRGIPRIL23R
SCHEMBL29929124	0.97	TFPI (0.59)	TFPIGLP1RGCGRGIPRIL23R
SCHEMBL30800826	0.97	TFPI (0.59)	TFPIGLP1RGCGRGIPRIL23R
SCHEMBL28216597	0.92	TFPI (0.58)	TFPIGLP1RGCGRGIPRIL23R
SCHEMBL31678895	0.89	TFPI (0.60)	TFPIGLP1RGCGRGIPRCALCR
SCHEMBL30431813	0.88	TFPI (0.65)	TFPIGLP1RGCGRGIPRIL23R
SCHEMBL31332065	0.88	PTH1R (0.60)	—
SCHEMBL30607484	0.88	GLP1R (0.61)	TFPIGLP1RGCGRGIPRCALCR
SCHEMBL30618037	0.88	TFPI (0.61)	TFPIGLP1RCALCRVIPR1
SCHEMBL29863200	0.87	PTH1R (0.61)	TFPIVIPR1

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-117466968-A	Synthetic method of multi-pair disulfide bond polypeptide	吉尔生化（上海）有限公司	2024-01-30	—	—	CN	disclosed