SCHEMBL8559205

SCHEMBL8559205

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.32
SIRT2 Q8IXJ6 6/20 0.31
PDK2 Q15119 1/20 0.30

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
SCHEMBL8558444 0.97 SIRT2 (0.33) SIRT2
SCHEMBL8556419 0.93 PDK2 (0.32) MAOAPDK2
SCHEMBL8554543 0.90 MAOA (0.33) MAOASIRT2PDK2
Hydrochloric Acid SCHEMBL8559176 0.89 MAOA (0.32) MAOASIRT2PDK2
Hydrochloric Acid SCHEMBL8556918 0.86 SIRT2 (0.32) SIRT2
SCHEMBL8555171 0.85 SIRT2 (0.31) SIRT2
Hydrochloric Acid SCHEMBL8560129 0.85 SIRT2 (0.31) SIRT2
SCHEMBL8554692 0.83 SIRT2 (0.31) SIRT2PDK2
SCHEMBL8555358 0.83 KMT2A (0.30) PDK2
Hydrochloric Acid SCHEMBL8558038 0.82 PRKAB2 (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