SCHEMBL30712951

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.65

▸	CXCL8	P10145	5/20	0.57

▸	CRHR1	P34998	1/20	0.56

▸	CRHR2	Q13324	1/20	0.56

▸	NPY2R	P49146	6/20	0.56

▸	NPY4R	P50391	6/20	0.56

▸	NPY5R	Q15761	6/20	0.56

▸	NPY1R	P25929	4/20	0.56

▸	NTSR1	P30989	1/20	0.56

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
SCHEMBL31182475	0.94	CALCR (0.67)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29530680	0.91	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31174208	0.90	CALCR (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30567759	0.90	CALCR (0.72)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30658358	0.89	CALCR (0.77)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30437023	0.89	CALCR (0.65)	CALCRCXCL8CRHR1CRHR2NPY2R
SCHEMBL31182537	0.89	CALCR (0.63)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30567763	0.88	CALCR (0.73)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30607306	0.88	CALCR (0.63)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL38665591	0.87	SLC6A2 (0.59)	CALCRCXCL8NTSR1

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