SCHEMBL7795692

SCHEMBL7795692

COc1cc(OC)c2c(c1)C(=O)c1cccc(OCCN3CCCCC3)c1-2

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
HTR2C P28335 5/20 0.50
PTPN1 P18031 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2B P41595 1/20 0.47
RAD52 P43351 1/20 0.47
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL7795753 0.99 POLB (0.53) POLBHTR2CPTPN1RAD52
SCHEMBL27513182 0.97 HRH3 (0.52) POLBHTR2CPTPN1KCNH2HRH3
SCHEMBL27493228 0.96 HRH3 (0.50) POLBHTR2CPTPN1RAD52KCNH2
SCHEMBL7792055 0.96 POLB (0.52) POLBHTR2CHTR2AHTR2BKCNH2
SCHEMBL7786095 0.95 HRH3 (0.54) POLBPTPN1RAD52KCNH2HRH3
SCHEMBL7794688 0.94 POLB (0.53) POLBHTR2CKCNH2HRH3
SCHEMBL7795941 0.94 POLB (0.47) POLBHTR2CPTPN1RAD52
SCHEMBL7795877 0.94 POLB (0.47) POLBHTR2CPTPN1RAD52HRH3
SCHEMBL7796613 0.94 HRH3 (0.52) PTPN1RAD52KCNH2HRH3
SCHEMBL7792338 0.93 POLB (0.49) POLBHTR2CHTR2AHTR2BKCNH2

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