SCHEMBL30640630

CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)[C@@H](C)O

nearest known ligand 0.70

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	11/20	0.70

▸	CCKBR	P32239	1/20	0.70

▸	CRHR1	P34998	1/20	0.66

▸	CRHR2	Q13324	1/20	0.66

▸	VIPR1	P32241	3/20	0.66

▸	ECE1	P42892	1/20	0.64

▸	MUS81	Q96NY9	1/20	0.64

▸	VIPR2	P41587	4/20	0.63

▸	PTH1R	Q03431	1/20	0.63

▸	NR3C1	P04150	1/20	0.62

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
SCHEMBL31104935	0.99	GLP1R (0.70)	GLP1RCCKBRCRHR1CRHR2VIPR1
SCHEMBL31104924	0.95	GLP1R (0.66)	GLP1RCCKBRCRHR1CRHR2VIPR1
Vasoactive Intestinal Peptide SCHEMBL30752406	0.93	VIPR1 (0.73)	GLP1RCCKBRCRHR1CRHR2VIPR1
SCHEMBL29387959	0.93	VIPR1 (0.65)	GLP1RCCKBRCRHR1CRHR2VIPR1
SCHEMBL29382033	0.93	GLP1R (0.78)	GLP1RCCKBRVIPR1ECE1MUS81
SCHEMBL29582948	0.92	CRHR1 (0.68)	GLP1RCCKBRCRHR1CRHR2
SCHEMBL29350003	0.91	GLP1R (0.78)	GLP1RCCKBRECE1MUS81NR3C1
SCHEMBL29382043	0.91	GLP1R (0.80)	GLP1RCCKBRVIPR1ECE1MUS81
SCHEMBL29854419	0.89	CRHR1 (0.64)	GLP1RCCKBRCRHR1CRHR2
SCHEMBL29389724	0.88	VIPR1 (0.79)	GLP1RCCKBRVIPR1ECE1MUS81

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-11780914-B2	PACAP antibodies and uses thereof	AMGEN INC.	2023-10-10	—	—	US	disclosed