SCHEMBL30712939

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

nearest known ligand 0.72

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	EP300	Q09472	1/20	0.67

▸	HIF1A	Q16665	1/20	0.67

▸	NPY2R	P49146	8/20	0.64

▸	NPY4R	P50391	8/20	0.64

▸	NPY5R	Q15761	8/20	0.64

▸	NPY1R	P25929	6/20	0.64

▸	CALCR	P30988	7/20	0.61

▸	RAMP3	O60896	3/20	0.59

▸	MAPK8	P45983	1/20	0.58

▸	MAPK9	P45984	1/20	0.58

▸	MAPK10	P53779	1/20	0.58

▸	HCRTR1	O43613	1/20	0.57

▸	HCRTR2	O43614	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
Savcipsgqpcpyskyccsgsctyktnengnsvqrcd SCHEMBL29838758	0.93	NPY2R (0.69)	EP300HIF1ANPY2RNPY4RNPY5R
Sstcipsgqpcpynenccsqsctykenengntvkrcd SCHEMBL29838759	0.92	NPY2R (0.67)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30658264	0.92	NPY2R (0.65)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30429242	0.91	CALCR (0.63)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30658298	0.91	NPY2R (0.71)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL31000870	0.91	MAPK8 (0.67)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30432502	0.91	NPY2R (0.67)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30335483	0.90	NPY2R (0.64)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL29562124	0.90	NPY2R (0.67)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30432659	0.90	EP300 (0.69)	EP300HIF1ANPY2RNPY4RNPY5R

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-20240003881-A1	SYSTEM AND METHOD FOR RAPID AND SENSITIVE DETECTION OF ANTI-PATHOGEN ANTIBODIES	THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA)	2024-01-04	—	—	US	disclosed