SCHEMBL29679847

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

nearest known ligand 0.63

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.63

▸	CALCR	P30988	4/20	0.63

▸	CRHR1	P34998	1/20	0.60

▸	CRHR2	Q13324	1/20	0.60

▸	HCRTR1	O43613	1/20	0.58

▸	HCRTR2	O43614	1/20	0.58

▸	C5AR1	P21730	2/20	0.57

▸	NPY2R	P49146	5/20	0.56

▸	NPY4R	P50391	5/20	0.56

▸	NPY5R	Q15761	5/20	0.56

▸	NPY1R	P25929	3/20	0.56

▸	OPRM1	P35372	1/20	0.55

▸	OPRD1	P41143	1/20	0.55

▸	OPRK1	P41145	1/20	0.55

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
SCHEMBL30176473	0.94	CALCR (0.64)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30712932	0.93	F2 (0.65)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30431687	0.92	F2 (0.64)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30824284	0.92	CALCR (0.64)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30198767	0.90	CALCR (0.68)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL29637944	0.90	C5AR1 (0.65)	F2CALCRC5AR1NPY2RNPY4R
SCHEMBL30903285	0.90	CALCR (0.60)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL31182659	0.89	CALCR (0.74)	F2CALCRCRHR1CRHR2NPY2R
SCHEMBL29410240	0.89	CALCR (0.69)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30607392	0.89	C5AR1 (0.65)	CALCRC5AR1NPY2RNPY4RNPY5R

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
WO-2022069704-A2	IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS	INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE)	2022-04-07	—	—	WO	disclosed