SCHEMBL9116820

SCHEMBL9116820

COc1ccc2occ(CCCN3CCC(C(=O)c4ccccc4)CC3)c(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.51
KCNH2 Q12809 2/20 0.48
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR2A P28223 1/20 0.45
PDE10A Q9Y233 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SLC18A3 Q16572 2/20 0.43
TP53 P04637 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
SCHEMBL9117040 0.93 MAOB (0.51) MAOBKCNH2RAB9AKMT2ASMN1; SMN2
SCHEMBL9114665 0.91 DRD2 (0.49) SMN1; SMN2HTR2AKDM4EALDH1A1SLC18A3
SCHEMBL9117021 0.89 KCNH2 (0.48) KCNH2HTR2AKDM4E
SCHEMBL9115835 0.88 HTR2A (0.50) SMN1; SMN2HTR2AKDM4EALDH1A1
SCHEMBL9115981 0.88 HTR2A (0.50) SMN1; SMN2HTR2AKDM4EALDH1A1
SCHEMBL9115963 0.88 HTR2A (0.50) SMN1; SMN2HTR2AKDM4EALDH1A1
SCHEMBL9117293 0.87 KCNH2 (0.47) MAOBKCNH2MTNR1AMTNR1BKDM4E
SCHEMBL9117274 0.86 ALDH1A1 (0.54) KCNH2KMT2AHTR2AKDM4EALDH1A1
SCHEMBL9115389 0.86 MAPT (0.45) KCNH2RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL9117585 0.86 HTR2A (0.51) SMN1; SMN2HTR2AALDH1A1SLC18A3

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 1 patent. 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 disclosed