SCHEMBL30432341

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

nearest known ligand 0.63

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	3/20	0.63

▸	GCGR	P47871	1/20	0.63

▸	GIPR	P48546	1/20	0.63

▸	VIPR1	P32241	4/20	0.60

▸	TFPI	P10646	1/20	0.58

▸	VIPR2	P41587	6/20	0.57

▸	IL23R	Q5VWK5	1/20	0.55

▸	CCKBR	P32239	1/20	0.55

▸	KEAP1	Q14145	1/20	0.54

▸	ECE1	P42892	1/20	0.54

▸	MUS81	Q96NY9	1/20	0.54

▸	KISS1R	Q969F8	3/20	0.54

▸	NR3C1	P04150	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
SCHEMBL31182595	0.92	GLP1R (0.68)	GLP1RGCGRGIPRVIPR1TFPI
SCHEMBL30038758	0.92	VIPR1 (0.63)	GLP1RGCGRGIPRVIPR1TFPI
SCHEMBL27043239	0.92	TFPI (0.68)	GLP1RGCGRGIPRVIPR1TFPI
SCHEMBL29416557	0.92	TFPI (0.68)	GLP1RGCGRGIPRVIPR1TFPI
SCHEMBL29939512	0.91	GLP1R (0.65)	GLP1RGCGRGIPRVIPR1TFPI
SCHEMBL29479828	0.91	VIPR2 (0.58)	GLP1RGCGRGIPRVIPR1TFPI
SCHEMBL30431813	0.90	TFPI (0.65)	GLP1RGCGRGIPRVIPR1TFPI
SCHEMBL30699435	0.90	TFPI (0.60)	GLP1RGCGRGIPRVIPR1TFPI
SCHEMBL29461387	0.90	TFPI (0.63)	GLP1RGCGRGIPRVIPR1TFPI
SCHEMBL30906402	0.89	VIPR1 (0.61)	GLP1RGCGRGIPRVIPR1TFPI

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20240342111-A1	ISOMER-SPECIFIC NEUROPROTECTIVE EFFECT OF NATURAL RESERVATROL	UNIV SOUTH CAROLINA (US)	2024-10-17	—	—	US	disclosed
US-20230201133-A1	Isomer-Specific Neuroprotective Effect of Natural Resveratrol	UNIVERSITY OF SOUTH CAROLINA (US)	2023-06-29	—	—	US	disclosed