SCHEMBL30432686

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

nearest known ligand 0.66

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.66

▸	MC4R	P32245	1/20	0.64

▸	CALCR	P30988	6/20	0.62

▸	RAMP3	O60896	2/20	0.60

▸	RAMP1	O60894	1/20	0.60

▸	RAMP2	O60895	1/20	0.60

▸	CALCRL	Q16602	1/20	0.60

▸	TFPI	P10646	4/20	0.59

▸	NMBR	P28336	1/20	0.59

▸	GRPR	P30550	1/20	0.59

▸	NPY1R	P25929	1/20	0.59

▸	NPY2R	P49146	1/20	0.59

▸	NPY4R	P50391	1/20	0.59

▸	NPY5R	Q15761	1/20	0.59

▸	APLNR	P35414	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
SCHEMBL29521326	0.95	APLNR (0.59)	C5AR1MC4RCALCRRAMP3RAMP1
SCHEMBL29521314	0.91	APLNR (0.61)	C5AR1CALCRRAMP3APLNR
SCHEMBL31182654	0.90	NPY2R (0.66)	C5AR1CALCRRAMP3NPY1RNPY2R
SCHEMBL29593655	0.90	C5AR1 (0.69)	C5AR1MC4RTFPINPY1RNPY2R
SCHEMBL29593115	0.90	C5AR1 (0.69)	C5AR1MC4RTFPINPY1RNPY2R
SCHEMBL29593954	0.90	C5AR1 (0.69)	C5AR1MC4RTFPINPY1RNPY2R
SCHEMBL29522561	0.90	CALCR (0.69)	C5AR1CALCRTFPINPY1RNPY2R
SCHEMBL31167611	0.90	CALCR (0.71)	C5AR1CALCRTFPINPY1RNPY2R
SCHEMBL31169469	0.89	C5AR1 (0.61)	C5AR1MC4RCALCRRAMP3NPY1R
SCHEMBL30818412	0.89	CALCR (0.69)	CALCRRAMP3RAMP1RAMP2CALCRL

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