SCHEMBL7792464

SCHEMBL7792464

CCCCOc1cc(OCCN2CCCCC2)cc2c1-c1c(OCCN3CCCCC3)cccc1C2=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
HRH3 Q9Y5N1 7/20 0.48
KCNH2 Q12809 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45

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
SCHEMBL7792044 0.99 LTA4H (0.52) LTA4HHRH3KCNH2KDM4EALDH1A1
SCHEMBL7795718 0.96 HRH3 (0.51) HRH3KCNH2KDM4EALDH1A1
SCHEMBL7786120 0.95 HRH3 (0.46) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL7795838 0.95 HRH3 (0.46) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL7792451 0.95 HRH3 (0.49) LTA4HHRH3KCNH2KDM4EALDH1A1
SCHEMBL27559443 0.94 MET (0.48) HRH3KCNH2KDM4EALDH1A1
SCHEMBL7792019 0.94 KDM4E (0.47) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL7792327 0.94 KDM4E (0.47) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL7795919 0.93 KDM4E (0.48) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL7791879 0.92 LTA4H (0.52) LTA4HKDM4EALDH1A1SMN1; SMN2

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