SCHEMBL30432882

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

nearest known ligand 0.71

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.67

▸	NPY2R	P49146	7/20	0.65

▸	NPY4R	P50391	7/20	0.65

▸	NPY5R	Q15761	7/20	0.65

▸	NPY1R	P25929	5/20	0.65

▸	RAMP1	O60894	1/20	0.65

▸	RAMP2	O60895	1/20	0.65

▸	RAMP3	O60896	1/20	0.65

▸	CALCRL	Q16602	1/20	0.65

▸	EP300	Q09472	1/20	0.64

▸	HIF1A	Q16665	1/20	0.64

▸	C5AR1	P21730	1/20	0.63

▸	F2	P00734	3/20	0.62

▸	CRHR1	P34998	1/20	0.62

▸	CRHR2	Q13324	1/20	0.62

▸	TFPI	P10646	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
SCHEMBL30565137	0.92	CALCR (0.76)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182519	0.92	CALCR (0.68)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495699	0.91	CALCR (0.73)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182518	0.91	CALCR (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29522561	0.91	CALCR (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29377468	0.91	CALCR (0.73)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495766	0.90	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL31182498	0.90	CALCR (0.70)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30686829	0.90	CALCR (0.75)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30686828	0.90	CALCR (0.75)	CALCRNPY2RNPY4RNPY5RNPY1R

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