SCHEMBL8558444

SCHEMBL8558444

CCCCCc1cc2c(c3c1NC(=O)C3(C)C)OC(CBr)C2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.33
HCAR2 Q8TDS4 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL8559205 0.97 MAOA (0.32) SIRT2
SCHEMBL8556419 0.92 PDK2 (0.32)
Hydrochloric Acid SCHEMBL8556918 0.89 SIRT2 (0.32) SIRT2HCAR2ESR1ESR2
SCHEMBL8555171 0.88 SIRT2 (0.31) SIRT2HCAR2ESR1ESR2
Hydrochloric Acid SCHEMBL8560129 0.88 SIRT2 (0.31) SIRT2HCAR2ESR1ESR2
SCHEMBL8554543 0.87 MAOA (0.33) SIRT2HCAR2
Hydrochloric Acid SCHEMBL8559176 0.86 MAOA (0.32) SIRT2HCAR2
SCHEMBL8554692 0.82 SIRT2 (0.31) SIRT2
SCHEMBL8555358 0.82 KMT2A (0.30)
Hydrochloric Acid SCHEMBL8558038 0.81 PRKAB2 (0.32)

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