SCHEMBL7792623

SCHEMBL7792623

COc1cccc2c1-c1c(OCCCN3CCCCC3)cccc1C2=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.58
KCNH2 Q12809 1/20 0.58
ALDH1A1 P00352 7/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
CYP2D6 P10635 2/20 0.56
CYP1A2 P05177 1/20 0.56
KDM4E B2RXH2 4/20 0.53
PKM P14618 1/20 0.53
CYP2C19 P33261 1/20 0.52
POLB P06746 1/20 0.52
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TRPM2 O94759 1/20 0.51
PARP1 P09874 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
HTR2C P28335 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL27493994 0.98 POLB (0.56) HRH3KCNH2ALDH1A1KMT2AMEN1
SCHEMBL7794664 0.94 HRH3 (0.55) HRH3KCNH2ALDH1A1KMT2AMEN1
SCHEMBL7794948 0.94 POLB (0.60) HRH3KCNH2ALDH1A1KMT2AMEN1
SCHEMBL7792228 0.93 ALDH1A1 (0.54) HRH3KCNH2ALDH1A1KMT2AMEN1
SCHEMBL7792217 0.92 POLB (0.62) ALDH1A1KMT2AMEN1CYP2D6CYP1A2
SCHEMBL7795889 0.90 ALDH1A1 (0.61) HRH3KCNH2ALDH1A1KMT2AMEN1
SCHEMBL7792681 0.90 ALDH1A1 (0.53) HRH3KCNH2ALDH1A1KMT2AMEN1
SCHEMBL7786095 0.90 HRH3 (0.54) HRH3KCNH2ALDH1A1KMT2AMEN1
SCHEMBL7794758 0.90 HRH3 (0.56) HRH3KCNH2ALDH1A1KMT2AMEN1
SCHEMBL7791766 0.89 CYP2D6 (0.53) HRH3KCNH2ALDH1A1KMT2AMEN1

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