SCHEMBL8555820

SCHEMBL8555820

Cc1cc2c(c3c1NC(=O)C3(C)C)OCC2CO

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32

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
SCHEMBL8555569 0.90 PDK2 (0.31) PDK2PDK4
Hydrochloric Acid SCHEMBL8557249 0.86 PDK2 (0.32) PDK2PDK4
SCHEMBL8557570 0.78 PDK2 (0.32) PDK2PDK4
SCHEMBL8557360 0.73 PDK2 (0.30) PDK2
SCHEMBL8559266 0.70 PDK2 (0.32) PDK2PDK4
SCHEMBL8556000 0.70 PDK2 (0.32) PDK2PDK4
SCHEMBL8558031 0.70 PDK2 (0.32) PDK2PDK4
SCHEMBL6557180 0.70 PDK2 (0.32) PDK2PDK4
SCHEMBL8555998 0.70 PDK2 (0.32) PDK2PDK4
SCHEMBL8554459 0.70 PDK2 (0.32) PDK2PDK4

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