SCHEMBL30432032

C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.55

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	OPRL1	P41146	4/20	0.48

▸	TFPI	P10646	1/20	0.48

▸	VIPR1	P32241	3/20	0.46

▸	ECE1	P42892	1/20	0.45

▸	GLP1R	P43220	1/20	0.45

▸	MUS81	Q96NY9	1/20	0.45

▸	VIPR2	P41587	2/20	0.44

▸	RAMP3	O60896	3/20	0.44

▸	CALCR	P30988	3/20	0.44

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
SCHEMBL29814926	0.88	TFPI (0.50)	OPRL1TFPIVIPR1ECE1GLP1R
SCHEMBL30258039	0.87	SIRT2 (0.45)	OPRL1VIPR1VIPR2
SCHEMBL29736084	0.87	PDCD1LG2 (0.46)	OPRL1TFPIRAMP3CALCR
SCHEMBL30431362	0.86	OPRL1 (0.54)	OPRL1TFPIVIPR1RAMP3CALCR
SCHEMBL29883866	0.86	SIRT2 (0.44)	OPRL1
SCHEMBL16507759	0.86	TFPI (0.50)	OPRL1TFPIVIPR1
SCHEMBL30262049	0.86	TFPI (0.50)	TFPIVIPR1ECE1GLP1RMUS81
SCHEMBL29736056	0.85	TFPI (0.46)	OPRL1TFPIECE1GLP1RMUS81
SCHEMBL31031478	0.85	BACE1 (0.44)	OPRL1TFPIVIPR1
SCHEMBL29736145	0.85	TFPI (0.46)	OPRL1TFPIECE1GLP1RMUS81

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