SCHEMBL30495694

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)[C@@H](C)O

nearest known ligand 0.70

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.63

▸	CRHR1	P34998	1/20	0.58

▸	CRHR2	Q13324	1/20	0.58

▸	NPY2R	P49146	8/20	0.57

▸	NPY4R	P50391	8/20	0.57

▸	NPY5R	Q15761	8/20	0.57

▸	NPY1R	P25929	6/20	0.57

▸	OPRD1	P41143	1/20	0.53

▸	EP300	Q09472	1/20	0.52

▸	HIF1A	Q16665	1/20	0.52

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
SCHEMBL30176483	0.91	CALCR (0.66)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30350085	0.89	NPY2R (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL11598563	0.88	CALCR (0.71)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL38663746	0.87	CALCR (0.65)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182470	0.86	CALCR (0.63)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30495637	0.86	CALCR (0.67)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30350078	0.86	OPRD1 (0.61)	CALCROPRD1
SCHEMBL29387110	0.86	CALCR (0.60)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL11667495	0.86	CALCR (0.70)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30536330	0.85	CALCR (0.66)	CALCRCRHR1CRHR2NPY2RNPY4R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20230190887-A1	TARGETING G3BP AGGREGATION TO PREVENT NEURODEGENERATION	UNIVERSITY OF SOUTH CAROLINA (US)	2023-06-22	—	—	US	disclosed