SCHEMBL7796356

SCHEMBL7796356

CCCCOc1ccc(OCCCN(CC)CC)c2c1-c1c(OCCCN(CC)CC)cccc1C2=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.45
HTR1D P28221 1/20 0.45
KCNA3 P22001 1/20 0.45
ELANE P08246 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TERT O14746 1/20 0.41
FLT3 P36888 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL7795878 0.95 KCNA3 (0.45) HTR1BHTR1DKCNA3ALDH1A1KDM4E
SCHEMBL7796426 0.95 HTR1B (0.48) HTR1BHTR1DKCNA3ELANEALDH1A1
SCHEMBL7795729 0.93 ELANE (0.50) HTR1BHTR1DKCNA3ELANEALDH1A1
SCHEMBL7794690 0.92 KCNA3 (0.45) HTR1BHTR1DKCNA3ALDH1A1KDM4E
SCHEMBL7794780 0.91 ALDH1A1 (0.52) KCNA3ALDH1A1KDM4ETDP1TERT
SCHEMBL7791858 0.88 MAOB (0.46) HTR1BHTR1DKCNA3ALDH1A1KDM4E
SCHEMBL7792085 0.88 KCNA3 (0.48) HTR1BHTR1DKCNA3ELANEALDH1A1
SCHEMBL7786145 0.88 MAPT (0.52) HTR1BHTR1DKCNA3ELANEALDH1A1
SCHEMBL7796600 0.87 CYP1A2 (0.40) HTR1BHTR1DKCNA3ELANEALDH1A1
SCHEMBL7795728 0.87 KCNA3 (0.52) HTR1BHTR1DKCNA3ALDH1A1KDM4E

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 4 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
EP-0906268-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-04-07 EP disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 WO disclosed