SCHEMBL29679615

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

nearest known ligand 0.60

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	RAMP3	O60896	4/20	0.60

▸	CALCR	P30988	4/20	0.60

▸	F2	P00734	4/20	0.59

▸	NPY2R	P49146	7/20	0.56

▸	NPY4R	P50391	7/20	0.56

▸	NPY5R	Q15761	7/20	0.56

▸	NPY1R	P25929	5/20	0.56

▸	APLNR	P35414	1/20	0.55

▸	NMUR2	Q9GZQ4	1/20	0.55

▸	NMUR1	Q9HB89	1/20	0.55

▸	C5AR1	P21730	1/20	0.55

▸	MC4R	P32245	1/20	0.54

▸	EPHA2	P29317	1/20	0.54

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
SCHEMBL30262247	0.86	C5AR1 (0.62)	RAMP3CALCRF2APLNRNMUR2
SCHEMBL30712896	0.86	C5AR1 (0.63)	NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL30974546	0.85	C5AR1 (0.60)	RAMP3CALCRF2NPY2RNPY4R
SCHEMBL30262245	0.85	MC4R (0.62)	RAMP3CALCRF2NPY2RNPY4R
SCHEMBL29903333	0.85	APLNR (0.61)	RAMP3CALCRF2NPY2RNPY4R
SCHEMBL30262180	0.85	F2 (0.59)	RAMP3CALCRF2NPY2RNPY4R
SCHEMBL26322	0.85	F2 (0.80)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL26323	0.85	F2 (0.80)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30422457	0.85	NPY2R (0.62)	RAMP3CALCRF2NPY2RNPY4R
SCHEMBL30538445	0.84	CALCR (0.61)	RAMP3CALCRAPLNR

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