SCHEMBL9429316

SCHEMBL9429316

CC(=O)c1cc(Cl)ccc1OCCCN1CCN(c2cc(=O)[nH]c(=O)n2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
THRB P10828 1/20 0.46
HTR1A P08908 8/20 0.46
HTR2A P28223 8/20 0.46
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.42
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL9383519 0.85 HTR1A (0.49) ALDH1A1HTR1AHTR2AKDM4ENPC1
SCHEMBL9429637 0.83 HTR1A (0.48) ALDH1A1THRBHTR1AHTR2ASMN1; SMN2
SCHEMBL9428894 0.81 DRD2 (0.53) HTR1AHTR2A
Oxalic Acid SCHEMBL9429238 0.81 MEN1 (0.55) ALDH1A1HTR1AHTR2AMEN1KMT2A
SCHEMBL9428872 0.77 MAPT (0.53) HTR1AHTR2AMAPTMAOB
Oxalic Acid SCHEMBL9428165 0.76 KDM4E (0.57) ALDH1A1HTR1AHTR2AKDM4ENPC1
SCHEMBL9429342 0.75 DRD3 (0.56) ALDH1A1HTR1AHTR2AKDM4ENPC1
SCHEMBL9428383 0.73 MAPT (0.59) HTR1AMAPTMAOBLMNAHTR2B
SCHEMBL9388964 0.72 HTR1A (0.50) ALDH1A1HTR1AHTR2AKDM4ESMN1; SMN2
SCHEMBL9428210 0.71 ADRA1B (0.47) ALDH1A1THRBHTR1AKDM4EMAPT

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
US-5332739-A Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-07-26 US disclosed
EP-0454498-A2 Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-30 EP disclosed