SCHEMBL8555634

SCHEMBL8555634

CCC1C(=O)Nc2c(C)cc3c(c21)OC(C)C3

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.36
CREBBP Q92793 3/20 0.36
PARP1 P09874 3/20 0.33
MAOA P21397 2/20 0.32
DHFR P00374 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
SCHEMBL8560804 0.81 BRD4 (0.37) BRD4CREBBPPARP1MAOA
SCHEMBL8558219 0.79
SCHEMBL23501955 0.68 PGR (0.33) BRD4CREBBP
SCHEMBL8558415 0.64
SCHEMBL17066904 0.62 ALDH1A1 (0.51) MAOA
SCHEMBL9094745 0.61 BRD4 (0.39) BRD4CREBBPPARP1
SCHEMBL23835758 0.59 PGR (0.43) BRD4CREBBP
SCHEMBL23501934 0.59 PGR (0.38) MAOA
SCHEMBL18768108 0.59 AKR1B1 (0.43) BRD4CREBBPPARP1MAOA
SCHEMBL28331547 0.58 RAB9A (0.44) PARP1MAOA

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