SCHEMBL7786286

SCHEMBL7786286

CCCOc1cc(OC)c2c(c1)C(=O)c1cccc(OCCN3CCCCC3)c1-2

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
HTR2C P28335 3/20 0.47
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
ACHE P22303 2/20 0.45
MAOB P27338 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
SCHEMBL7786431 0.99 POLB (0.49) POLBHTR2CKCNH2HRH3ACHE
Hydrochloric Acid SCHEMBL7792645 0.98 POLB (0.48) POLBHTR2CKCNH2HRH3ACHE
SCHEMBL7795838 0.96 HRH3 (0.46) HRH3
SCHEMBL7786120 0.96 HRH3 (0.46) HRH3
SCHEMBL7792055 0.96 POLB (0.52) POLBHTR2CKCNH2HRH3ACHE
SCHEMBL7794688 0.95 POLB (0.53) POLBHTR2CKCNH2HRH3ACHE
SCHEMBL7792327 0.95 KDM4E (0.47) HRH3
SCHEMBL7792019 0.95 KDM4E (0.47) HRH3
SCHEMBL7795941 0.94 POLB (0.47) POLBHTR2C
SCHEMBL7792138 0.93 ALDH1A1 (0.46) HRH3

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