SCHEMBL30433449

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	4/20	0.61

▸	KDM1A	O60341	3/20	0.61

▸	NPY2R	P49146	7/20	0.58

▸	NPY4R	P50391	7/20	0.58

▸	NPY5R	Q15761	7/20	0.58

▸	NPY1R	P25929	5/20	0.58

▸	MAOB	P27338	1/20	0.58

▸	KDM5A	P29375	1/20	0.58

▸	KDM1B	Q8NB78	1/20	0.58

▸	GLP1R	P43220	3/20	0.57

▸	GCGR	P47871	3/20	0.57

▸	C5AR1	P21730	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
SCHEMBL30432602	0.91	CALCR (0.67)	TFPIKDM1AGLP1RGCGR
SCHEMBL29463740	0.91	MC4R (0.62)	TFPIKDM1ANPY2RNPY4RNPY5R
SCHEMBL29463762	0.90	MC4R (0.61)	TFPIKDM1ANPY2RNPY4RNPY5R
SCHEMBL29463759	0.89	KDM1A (0.61)	TFPIKDM1ANPY2RNPY4RNPY5R
SCHEMBL9613935	0.89	CXCR4 (0.61)	TFPIKDM1AGLP1RGCGR
SCHEMBL31182874	0.88	MAPK8 (0.66)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL31182477	0.88	APLNR (0.64)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30511759	0.88	CALCR (0.66)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL29525147	0.88	APLNR (0.63)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30262210	0.86	KDM1A (0.74)	TFPIKDM1ANPY2RNPY4RNPY5R

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