SCHEMBL6437072

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.63

▸	PTH1R	Q03431	11/20	0.60

▸	APLNR	P35414	2/20	0.59

▸	KEAP1	Q14145	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
SCHEMBL30466120	0.91	CALCR (0.70)	CALCRAPLNR
SCHEMBL6437853	0.91	CALCR (0.73)	CALCRPTH1RAPLNR
SCHEMBL29895442	0.91	CALCR (0.73)	CALCRPTH1RAPLNR
SCHEMBL30262193	0.90	PTH1R (0.64)	CALCRPTH1RAPLNRKEAP1
SCHEMBL29836324	0.89	F2 (0.57)	CALCRKEAP1
SCHEMBL30168706	0.88	KEAP1 (0.57)	CALCRKEAP1
SCHEMBL29738331	0.88	PTH1R (0.68)	CALCRPTH1RKEAP1
SCHEMBL30792397	0.88	CALCR (0.63)	CALCRPTH1RKEAP1
SCHEMBL30168770	0.88	F2 (0.58)	KEAP1
SCHEMBL31672269	0.88	APLNR (0.58)	CALCRPTH1RAPLNR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1501605-A1	NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY	ALTANA Pharma AG (DE)	2005-02-02	—	—	EP	disclosed
WO-2003090870-A1	NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY	ALTANA PHARMA AG (DE)	2003-11-06	—	—	WO	disclosed