SCHEMBL29679560

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

nearest known ligand 0.59

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	5/20	0.59

▸	CALCR	P30988	4/20	0.53

▸	F2	P00734	1/20	0.50

▸	EP300	Q09472	1/20	0.50

▸	HIF1A	Q16665	1/20	0.50

▸	MAPK8	P45983	1/20	0.50

▸	MAPK9	P45984	1/20	0.50

▸	MAPK10	P53779	1/20	0.50

▸	SLC6A2	P23975	1/20	0.49

▸	AGTR1	P30556	1/20	0.48

▸	AGTR2	P50052	1/20	0.48

▸	OXTR	P30559	1/20	0.48

▸	NPY2R	P49146	2/20	0.48

▸	NPY4R	P50391	2/20	0.48

▸	NPY5R	Q15761	2/20	0.48

▸	NPY1R	P25929	1/20	0.48

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
SCHEMBL30607370	0.86	CALCRL (0.56)	CALCRLCALCREP300HIF1ANPY2R
SCHEMBL29679610	0.85	CALCRL (0.58)	CALCRLCALCRF2EP300HIF1A
SCHEMBL29706182	0.85	SLC6A2 (0.53)	CALCRLCALCRF2MAPK8MAPK9
SCHEMBL30880874	0.84	CALCRL (0.61)	CALCRLCALCRF2SLC6A2NPY2R
SCHEMBL30123059	0.84	CALCRL (0.61)	CALCRLCALCRSLC6A2AGTR1AGTR2
SCHEMBL30906521	0.84	CALCR (0.59)	CALCRLCALCRF2EP300HIF1A
SCHEMBL30712880	0.84	CALCR (0.61)	CALCRF2EP300HIF1ANPY2R
SCHEMBL30607406	0.84	NPY2R (0.61)	CALCRLCALCRF2EP300HIF1A
SCHEMBL31000906	0.83	CALCR (0.59)	CALCRLCALCRF2EP300HIF1A
SCHEMBL29496659	0.83	NTSR1 (0.56)	AGTR1AGTR2OXTRNPY2RNPY4R

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