SCHEMBL30903291

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

nearest known ligand 0.63

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.63

▸	CALCR	P30988	3/20	0.55

▸	GLP1R	P43220	2/20	0.54

▸	GCGR	P47871	1/20	0.54

▸	GIPR	P48546	1/20	0.54

▸	CCKBR	P32239	1/20	0.54

▸	CRHR1	P34998	1/20	0.54

▸	CRHR2	Q13324	1/20	0.54

▸	VIPR1	P32241	1/20	0.54

▸	IL23R	Q5VWK5	1/20	0.53

▸	PTH1R	Q03431	1/20	0.53

▸	BACE1	P56817	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
SCHEMBL30083769	0.92	TFPI (0.63)	TFPIGLP1RCCKBRCRHR1CRHR2
SCHEMBL31182918	0.92	TFPI (0.64)	TFPICALCRGLP1RGCGRGIPR
SCHEMBL31182935	0.92	TFPI (0.62)	TFPICALCRGLP1RGCGRGIPR
SCHEMBL29609357	0.91	TFPI (0.64)	TFPICALCRGLP1RGCGRGIPR
SCHEMBL29373287	0.90	TFPI (0.66)	TFPIGLP1RVIPR1BACE1
SCHEMBL31000935	0.90	TFPI (0.65)	TFPIGLP1RVIPR1
SCHEMBL30567786	0.89	TFPI (0.58)	TFPICALCRGLP1RCCKBRCRHR1
SCHEMBL30436623	0.89	VIPR1 (0.63)	TFPICALCRGLP1RCCKBRCRHR1
SCHEMBL29376362	0.89	TFPI (0.66)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL29836442	0.89	TFPI (0.55)	TFPIGLP1RCCKBRCRHR1CRHR2

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-20240148849-A1	IMMUNOGENIC COMPOSITION, USE AND METHODS	GLAXOSMITHKLINE BIOLOGICALS SA (BE)	2024-05-09	—	—	US	disclosed