SCHEMBL7794664

SCHEMBL7794664

COc1ccc(OCCCN2CCCCC2)c2c1-c1c(OCCCN3CCCCC3)cccc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.55
KCNH2 Q12809 1/20 0.55
ALDH1A1 P00352 7/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
CYP2D6 P10635 2/20 0.53
CYP1A2 P05177 1/20 0.53
KDM4E B2RXH2 4/20 0.50
PKM P14618 1/20 0.50
HTR2C P28335 1/20 0.50
CYP2C19 P33261 1/20 0.49
POLB P06746 1/20 0.49
TRPM2 O94759 1/20 0.48
PARP1 P09874 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 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
SCHEMBL7792228 0.99 ALDH1A1 (0.54) HRH3KCNH2ALDH1A1KMT2AMEN1
SCHEMBL7794877 0.94 POLB (0.56) ALDH1A1KMT2AMEN1CYP2D6CYP1A2
SCHEMBL7792623 0.94 HRH3 (0.58) HRH3KCNH2ALDH1A1KMT2AMEN1
SCHEMBL7786161 0.93 POLB (0.58) ALDH1A1KMT2AMEN1CYP2D6CYP1A2
SCHEMBL27493994 0.92 POLB (0.56) HRH3KCNH2ALDH1A1KMT2AMEN1
SCHEMBL7792561 0.91 ALDH1A1 (0.50) HRH3KCNH2ALDH1A1KMT2AMEN1
SCHEMBL7792345 0.91 ALDH1A1 (0.50) HRH3KCNH2ALDH1A1KMT2AMEN1
SCHEMBL7792791 0.91 ALDH1A1 (0.57) HRH3KCNH2ALDH1A1KMT2AMEN1
SCHEMBL7794755 0.89 CYP2D6 (0.50) HRH3KCNH2ALDH1A1KMT2AMEN1
SCHEMBL7792602 0.89 ALDH1A1 (0.59) HRH3ALDH1A1KMT2AMEN1CYP2D6

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