SCHEMBL8554543

SCHEMBL8554543

CCCCc1cc2c(c3c1NC(=O)C3(C)C)OC(CN)C2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
PRKAB2 O43741 2/20 0.31
PRKAG1 P54619 2/20 0.31
PRKAA2 P54646 2/20 0.31
PRKAA1 Q13131 2/20 0.31
PRKAG3 Q9UGI9 2/20 0.31
PRKAG2 Q9UGJ0 2/20 0.31
PRKAB1 Q9Y478 2/20 0.31
PDK2 Q15119 1/20 0.31
SIRT2 Q8IXJ6 2/20 0.31
AQP1 P29972 1/20 0.31
FFAR3 O14843 1/20 0.31
FFAR2 O15552 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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
Hydrochloric Acid SCHEMBL8559176 0.99 MAOA (0.32) MAOAPRKAB2PRKAG1PRKAA2PRKAA1
Hydrochloric Acid SCHEMBL8556918 0.96 SIRT2 (0.32) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL8560129 0.95 SIRT2 (0.31) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL8558038 0.92 PRKAB2 (0.32) MAOAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8559205 0.90 MAOA (0.32) MAOAPDK2SIRT2
Hydrochloric Acid SCHEMBL8557391 0.89 PDK2 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8558444 0.87 SIRT2 (0.33) SIRT2HCAR2
SCHEMBL8555171 0.86 SIRT2 (0.31) SIRT2HCAR2
SCHEMBL8554977 0.83 PRKAB2 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8556419 0.83 PDK2 (0.32) MAOAPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0653426-B1 Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same KOWA CO (JP) 1998-07-22 EP disclosed
US-5510366-A INOTROPIC, ANTIARRHYMTHMIA AGENTS, VASODILATORS KOWA CO., LTD. (JP) 1996-04-23 US disclosed
EP-0653426-A1 Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same KOWA COMPANY, LTD. (JP) 1995-05-17 EP disclosed