SCHEMBL9117040

SCHEMBL9117040

COc1ccc2c(=O)c(CCCN3CCC(C(=O)c4ccccc4)CC3)coc2c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.51
KCNH2 Q12809 2/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HTR2A P28223 1/20 0.45
HTT P42858 1/20 0.43

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
SCHEMBL9116820 0.93 MAOB (0.51) MAOBKCNH2ALDH1A1KDM4ERAB9A
SCHEMBL9116078 0.89 HTR2A (0.51) ALDH1A1KDM4ESMN1; SMN2CYP3A4HRH3
SCHEMBL9117021 0.89 KCNH2 (0.48) KCNH2KDM4ECYP3A4HTR2A
SCHEMBL9115389 0.86 MAPT (0.45) KCNH2ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL9114665 0.84 DRD2 (0.49) ALDH1A1KDM4ESMN1; SMN2CYP3A4HTR2A
SCHEMBL9117345 0.84 CHRM2 (0.49) MAOBKCNH2ALDH1A1KDM4EHRH3
SCHEMBL9115835 0.81 HTR2A (0.50) ALDH1A1KDM4ESMN1; SMN2CYP3A4HTR2A
SCHEMBL9115981 0.81 HTR2A (0.50) ALDH1A1KDM4ESMN1; SMN2CYP3A4HTR2A
SCHEMBL9115963 0.81 HTR2A (0.50) ALDH1A1KDM4ESMN1; SMN2CYP3A4HTR2A
SCHEMBL9117274 0.81 ALDH1A1 (0.54) KCNH2ALDH1A1KDM4EMEN1CYP3A4

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
WO-1995025731-A1 NOVEL 3-(φ-(4-BENZOYLPIPERIDINO)ALKYL)-4H-BENZOPYRAN-4-ONES, PREPARATION AND THERAPEUTICAL USE THEREOF PIERRE FABRE MEDICAMENT (FR) 1995-09-28 WO claimed
WO-1995025731-A1 NOVEL 3-(φ-(4-BENZOYLPIPERIDINO)ALKYL)-4H-BENZOPYRAN-4-ONES, PREPARATION AND THERAPEUTICAL USE THEREOF PIERRE FABRE MEDICAMENT (FR) 1995-09-28 WO disclosed