SCHEMBL30432142

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	MC4R	P32245	1/20	0.73

▸	F2	P00734	4/20	0.64

▸	C5AR1	P21730	1/20	0.60

▸	CXCR4	P61073	2/20	0.60

▸	APLNR	P35414	1/20	0.59

▸	TFPI	P10646	2/20	0.58

▸	NMUR2	Q9GZQ4	2/20	0.58

▸	NMUR1	Q9HB89	2/20	0.58

▸	CALCR	P30988	2/20	0.57

▸	NPY1R	P25929	1/20	0.57

▸	NPY2R	P49146	1/20	0.57

▸	NPY4R	P50391	1/20	0.57

▸	NPY5R	Q15761	1/20	0.57

▸	KEAP1	Q14145	1/20	0.57

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
SCHEMBL29855908	0.94	MC4R (0.68)	MC4RF2C5AR1CXCR4TFPI
SCHEMBL30432646	0.90	CALCR (0.67)	F2C5AR1TFPICALCRNPY1R
SCHEMBL31678903	0.90	MC4R (0.67)	MC4RF2C5AR1CXCR4APLNR
SCHEMBL31182498	0.89	CALCR (0.70)	F2C5AR1TFPICALCRNPY1R
SCHEMBL31474361	0.89	MC4R (0.62)	MC4RF2C5AR1CALCR
SCHEMBL30176412	0.89	MC4R (0.63)	MC4RF2CXCR4APLNRTFPI
SCHEMBL29593115	0.88	C5AR1 (0.69)	MC4RF2C5AR1TFPINPY1R
SCHEMBL29593954	0.88	C5AR1 (0.69)	MC4RF2C5AR1TFPINPY1R
SCHEMBL29593655	0.88	C5AR1 (0.69)	MC4RF2C5AR1TFPINPY1R
SCHEMBL30432686	0.88	C5AR1 (0.66)	MC4RC5AR1APLNRTFPICALCR

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