SCHEMBL7796470

SCHEMBL7796470

CCOc1ccc2c(c1)C(=O)c1cccc(OCCN3CCCC3)c1-2

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
HTT P42858 1/20 0.50
ACHE P22303 2/20 0.49
HRH3 Q9Y5N1 4/20 0.49
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
MAOB P27338 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
ADORA2A P29274 2/20 0.46
POLB P06746 1/20 0.46
ADORA1 P30542 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 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
SCHEMBL7795710 0.99 HRH3 (0.51) KDM4EHTTACHEHRH3ALDH1A1
SCHEMBL27514547 0.96 ALDH1A1 (0.53) KDM4EHTTACHEHRH3ALDH1A1
SCHEMBL7791989 0.95 ALDH1A1 (0.53) KDM4EHTTHRH3ALDH1A1TSHR
SCHEMBL7786144 0.93 LTA4H (0.51) KDM4EACHEHRH3ALDH1A1MAOB
SCHEMBL7792420 0.93 HRH3 (0.51) KDM4EACHEHRH3ALDH1A1MAOB
SCHEMBL7786022 0.92 HRH3 (0.53) KDM4EACHEHRH3ALDH1A1MAOB
SCHEMBL7786054 0.92 HRH3 (0.53) KDM4EACHEHRH3ALDH1A1MAOB
SCHEMBL27494400 0.92 MAPT (0.46) KDM4EHTTACHEHRH3ALDH1A1
SCHEMBL7792021 0.91 KDM4E (0.52) KDM4EHTTALDH1A1ADORA2AADORA1
SCHEMBL7792114 0.90 ESR1 (0.53) ACHEMAOBPOLB

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