SCHEMBL7795710

SCHEMBL7795710

CCOc1ccc2c(c1)C(=O)c1cccc(OCCN3CCCCC3)c1-2

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.51
ACHE P22303 2/20 0.51
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.49
ADORA2A P29274 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
MAOB P27338 1/20 0.47
ADORA1 P30542 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7796470 0.99 KDM4E (0.50) HRH3ACHEKDM4EALDH1A1TSHR
SCHEMBL27514547 0.97 ALDH1A1 (0.53) HRH3ACHEKDM4EALDH1A1TSHR
SCHEMBL7791989 0.94 ALDH1A1 (0.53) HRH3KDM4EALDH1A1TSHRHTT
SCHEMBL7786022 0.93 HRH3 (0.53) HRH3ACHEKDM4EALDH1A1ADORA2A
SCHEMBL7786054 0.93 HRH3 (0.53) HRH3ACHEKDM4EALDH1A1ADORA2A
SCHEMBL7786144 0.92 LTA4H (0.51) HRH3ACHEKDM4EALDH1A1ADORA2A
SCHEMBL7792420 0.92 HRH3 (0.51) HRH3ACHEKDM4EALDH1A1ADORA2A
SCHEMBL27494797 0.91 HRH3 (0.53) HRH3KDM4EADORA2AADORA1
SCHEMBL27494400 0.91 MAPT (0.46) HRH3ACHEKDM4EALDH1A1TSHR
SCHEMBL7792033 0.90 ESR1 (0.54) ACHEMAOB

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