SCHEMBL7795701

SCHEMBL7795701

COc1cc(OCCCN2CCCCC2)c(N)c2c1-c1c(OCCCN3CCCCC3)cccc1C2=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.49
KCNH2 Q12809 1/20 0.49
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
HTR2C P28335 3/20 0.46
KDM4E B2RXH2 3/20 0.45
PKM P14618 1/20 0.45
EHMT2 Q96KQ7 2/20 0.44
EHMT1 Q9H9B1 2/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
TRPM2 O94759 1/20 0.44
PARP1 P09874 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL7792069 0.99 ALDH1A1 (0.48) HRH3KCNH2ALDH1A1KMT2AMEN1
SCHEMBL7796350 0.95 HTR2C (0.51) KMT2AMEN1HTR2C
SCHEMBL7795771 0.94 POLB (0.51) ALDH1A1KMT2AMEN1CYP2D6CYP1A2
SCHEMBL7792435 0.92 ALDH1A1 (0.51) HRH3ALDH1A1KMT2AMEN1CYP2D6
SCHEMBL7792004 0.92 ALDH1A1 (0.45) HRH3KCNH2ALDH1A1KMT2AMEN1
SCHEMBL7794777 0.92 HRH3 (0.46) HRH3KCNH2ALDH1A1KMT2AMEN1
SCHEMBL7792689 0.92 POLB (0.51) ALDH1A1KMT2AMEN1CYP2D6CYP1A2
SCHEMBL7792690 0.91 HRH3 (0.45) HRH3KCNH2ALDH1A1KMT2AMEN1
SCHEMBL7794786 0.91 ALDH1A1 (0.52) HRH3ALDH1A1KMT2AMEN1CYP2D6
SCHEMBL7792361 0.91 CYP2D6 (0.44) 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