SCHEMBL7792228

SCHEMBL7792228

COc1ccc(OCCCN2CCCC2)c2c1-c1c(OCCCN3CCCC3)cccc1C2=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
CYP2D6 P10635 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP1A2 P05177 1/20 0.54
HRH3 Q9Y5N1 2/20 0.53
KCNH2 Q12809 1/20 0.53
CYP2C19 P33261 1/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
HTT P42858 1/20 0.49
HTR2C P28335 1/20 0.48
KDM4E B2RXH2 2/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TRPM2 O94759 1/20 0.47
PARP1 P09874 1/20 0.47
TSHR P16473 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
SCHEMBL7794664 0.99 HRH3 (0.55) ALDH1A1CYP2D6MEN1KMT2ACYP1A2
SCHEMBL7786161 0.94 POLB (0.58) ALDH1A1CYP2D6MEN1KMT2ACYP1A2
SCHEMBL7794877 0.93 POLB (0.56) ALDH1A1CYP2D6MEN1KMT2ACYP1A2
SCHEMBL7792623 0.93 HRH3 (0.58) ALDH1A1CYP2D6MEN1KMT2ACYP1A2
SCHEMBL7786435 0.91 CYP2D6 (0.50) ALDH1A1CYP2D6MEN1KMT2ACYP1A2
SCHEMBL7792602 0.91 ALDH1A1 (0.59) ALDH1A1CYP2D6MEN1KMT2AHRH3
SCHEMBL7794755 0.91 CYP2D6 (0.50) ALDH1A1CYP2D6MEN1KMT2ACYP1A2
SCHEMBL27493994 0.91 POLB (0.56) ALDH1A1CYP2D6MEN1KMT2ACYP1A2
SCHEMBL7795901 0.90 CYP2D6 (0.61) ALDH1A1CYP2D6CYP1A2CYP2C19HTR2C
SCHEMBL7792561 0.89 ALDH1A1 (0.50) ALDH1A1CYP2D6MEN1KMT2AHRH3

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 4 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
EP-0906268-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-04-07 EP disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 WO disclosed