SCHEMBL30712915

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C)C(C)C)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.69

▸	CRHR1	P34998	1/20	0.65

▸	CRHR2	Q13324	1/20	0.65

▸	AGTR1	P30556	1/20	0.59

▸	AGTR2	P50052	1/20	0.59

▸	F2	P00734	4/20	0.57

▸	GLP1R	P43220	1/20	0.55

▸	HCRTR1	O43613	1/20	0.53

▸	HCRTR2	O43614	1/20	0.53

▸	NPY2R	P49146	3/20	0.53

▸	NPY4R	P50391	3/20	0.53

▸	NPY5R	Q15761	3/20	0.53

▸	NPY1R	P25929	2/20	0.53

▸	C5AR1	P21730	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
SCHEMBL30432408	0.91	CALCR (0.71)	CALCRCRHR1CRHR2F2GLP1R
SCHEMBL31182543	0.90	CALCR (0.79)	CALCRCRHR1CRHR2F2GLP1R
SCHEMBL31182659	0.89	CALCR (0.74)	CALCRCRHR1CRHR2F2GLP1R
SCHEMBL30254266	0.89	CALCR (0.64)	CALCRCRHR1CRHR2AGTR1AGTR2
SCHEMBL30431904	0.89	CALCR (0.74)	CALCRCRHR1CRHR2GLP1RHCRTR1
SCHEMBL29767110	0.88	CALCR (0.82)	CALCRCRHR1CRHR2F2GLP1R
SCHEMBL31182553	0.88	CALCR (0.79)	CALCRCRHR1CRHR2F2GLP1R
SCHEMBL30658233	0.87	CALCR (0.71)	CALCRCRHR1CRHR2GLP1RNPY2R
SCHEMBL30932076	0.87	CALCR (0.82)	CALCRCRHR1CRHR2F2GLP1R
SCHEMBL31182688	0.87	CALCR (0.71)	CALCRCRHR1CRHR2GLP1RNPY2R

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