SCHEMBL30432164

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	9/20	0.65

▸	NPY4R	P50391	8/20	0.65

▸	NPY5R	Q15761	8/20	0.65

▸	NPY1R	P25929	7/20	0.65

▸	TFPI	P10646	4/20	0.60

▸	MAPK8	P45983	1/20	0.60

▸	MAPK9	P45984	1/20	0.60

▸	MAPK10	P53779	1/20	0.60

▸	CALCR	P30988	4/20	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
SCHEMBL31182982	0.91	NPY2R (0.73)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30432480	0.91	CALCR (0.61)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30495647	0.90	NPY2R (0.77)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30658249	0.90	NPY2R (0.71)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31651397	0.90	NPY2R (0.71)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30658298	0.90	NPY2R (0.71)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30218807	0.90	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29711789	0.90	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182925	0.89	CALCR (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30432502	0.89	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI

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