SCHEMBL30432646

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)O)C(C)C

nearest known ligand 0.70

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.67

▸	C5AR1	P21730	1/20	0.65

▸	F2	P00734	4/20	0.65

▸	NPY2R	P49146	7/20	0.64

▸	NPY4R	P50391	7/20	0.64

▸	NPY5R	Q15761	7/20	0.64

▸	NPY1R	P25929	5/20	0.64

▸	TFPI	P10646	2/20	0.64

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
SCHEMBL31182473	0.95	NPY2R (0.70)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30495793	0.94	CALCR (0.67)	CALCRC5AR1NPY2RNPY4RNPY5R
SCHEMBL30432128	0.93	CALCR (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182519	0.93	CALCR (0.68)	CALCRC5AR1F2NPY2RNPY4R
SCHEMBL30495778	0.92	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30511759	0.92	CALCR (0.66)	CALCRC5AR1NPY2RNPY4RNPY5R
SCHEMBL30607329	0.92	F2 (0.68)	CALCRC5AR1F2NPY1R
SCHEMBL30818412	0.92	CALCR (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30818413	0.92	CALCR (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182738	0.92	CALCR (0.67)	CALCRC5AR1F2NPY2RNPY4R

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