SCHEMBL30432005

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.62

▸	NPY2R	P49146	6/20	0.60

▸	NPY4R	P50391	6/20	0.60

▸	NPY5R	Q15761	6/20	0.60

▸	F2	P00734	4/20	0.60

▸	NPY1R	P25929	4/20	0.60

▸	CRHR1	P34998	1/20	0.60

▸	CRHR2	Q13324	1/20	0.60

▸	TFPI	P10646	1/20	0.58

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
SCHEMBL30437162	0.93	F2 (0.60)	CALCRNPY2RNPY4RNPY5RF2
SCHEMBL29867671	0.91	F2 (0.62)	CALCRNPY2RNPY4RNPY5RF2
SCHEMBL30262116	0.91	F2 (0.62)	CALCRNPY2RNPY4RNPY5RF2
SCHEMBL29679496	0.91	CALCR (0.61)	CALCRNPY2RNPY4RNPY5RF2
SCHEMBL30432109	0.91	CALCR (0.69)	CALCRNPY2RNPY4RNPY5RF2
SCHEMBL31182439	0.91	CALCR (0.63)	CALCRNPY2RNPY4RNPY5RF2
SCHEMBL30437400	0.90	OPRD1 (0.61)	CALCRF2TFPI
Cathelicidin SCHEMBL29350781	0.90	NPY2R (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31129151	0.90	NPY2R (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31683333	0.89	CALCR (0.60)	CALCRNPY2RNPY4RNPY5RF2

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