SCHEMBL7786254

SCHEMBL7786254

COc1cc(OCCCN2CCCC2)cc2c1-c1c(OCCCN3CCCC3)cccc1C2=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.55
KCNH2 Q12809 1/20 0.55
MAOA P21397 3/20 0.51
MAOB P27338 3/20 0.51
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL7794758 0.99 HRH3 (0.56) HRH3KCNH2MAOAMAOBALDH1A1
SCHEMBL7796613 0.96 HRH3 (0.52) HRH3KCNH2MAOAMAOBALDH1A1
SCHEMBL7786095 0.95 HRH3 (0.54) HRH3KCNH2ALDH1A1KMT2AMEN1
SCHEMBL7794688 0.94 POLB (0.53) HRH3KCNH2MAOB
SCHEMBL27493228 0.94 HRH3 (0.50) HRH3KCNH2MAOAMAOBALDH1A1
SCHEMBL7792055 0.94 POLB (0.52) HRH3KCNH2MAOB
SCHEMBL27513182 0.93 HRH3 (0.52) HRH3KCNH2ALDH1A1KMT2AMEN1
SCHEMBL7786234 0.91 MET (0.50) HRH3KCNH2ALDH1A1CYP2D6KDM4E
SCHEMBL7786388 0.91 MET (0.50) HRH3KCNH2ALDH1A1CYP2D6KDM4E
SCHEMBL7792451 0.91 HRH3 (0.49) HRH3KCNH2MAOBALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed