SCHEMBL7437408

SCHEMBL7437408

N#Cc1nc(-c2ccc(OCCN3CCCCC3)cc2)cs1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 4/20 0.58
ATP4B P51164 4/20 0.58
HRH3 Q9Y5N1 9/20 0.54
HRH2 P25021 1/20 0.52
HRH1 P35367 1/20 0.52
LTA4H P09960 2/20 0.50
TBK1 Q9UHD2 1/20 0.49
PRKAB2 O43741 1/20 0.49
PRKAG1 P54619 1/20 0.49
PRKAA2 P54646 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAG3 Q9UGI9 1/20 0.49
PRKAG2 Q9UGJ0 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49
MCHR1 Q99705 1/20 0.48
PSMB1 P20618 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB2 P49721 1/20 0.48
PTPN1 P18031 1/20 0.47

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL7437601 0.78 ATP4A (0.54) ATP4AATP4BHRH3LTA4HPRKAB2
SCHEMBL7436848 0.77 ATP4A (0.56) ATP4AATP4BHRH3LTA4HPRKAB2
Hydrochloric Acid SCHEMBL7440865 0.77 ATP4A (0.55) ATP4AATP4BHRH3LTA4HPRKAB2
Hydrochloric Acid SCHEMBL7443354 0.76 ATP4A (0.57) ATP4AATP4BHRH3LTA4HPRKAB2
SCHEMBL7437613 0.76 ATP4A (0.54) ATP4AATP4BHRH3LTA4HPRKAB2
SCHEMBL3612018 0.76 ACHE (0.57) ATP4AATP4BHRH3LTA4HPRKAB2
SCHEMBL227297 0.75 HRH3 (0.85) HRH3HRH2HRH1LTA4HPSMB1
Hydrochloric Acid SCHEMBL7440874 0.75 ATP4A (0.55) ATP4AATP4BHRH3LTA4HPRKAB2
SCHEMBL4874490 0.74 HRH3 (0.82) HRH3HRH2HRH1LTA4HPSMB1
SCHEMBL10660429 0.74 ATP4A (1.00) ATP4AATP4BHRH3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506194-B1 4-aryl-thiazole or imidazole derivatives AKZO NOBEL NV (NL) 1996-08-21 EP disclosed
US-5462959-A 4-aryl-imidazole derivatives AKZO N.V. (NL) 1995-10-31 US disclosed
US-5254575-A 4-aryl-thiazole derivatives AKZO N.V. (NL) 1993-10-19 US disclosed
EP-0506194-A1 4-aryl-thiazole or imidazole derivatives Akzo Nobel N.V. (NL) 1992-09-30 EP disclosed