SCHEMBL9033141

SCHEMBL9033141

O=C(O)c1ccc2c(C3CCN(CCN4C(=O)c5cccc6cccc(c56)C4=O)CC3)c[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
HTR7 P34969 1/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RAD52 P43351 1/20 0.47
LPAR2 Q9HBW0 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
DRD2 P14416 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR1D P28221 2/20 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
SCHEMBL9033765 0.93 HTR1D (0.49) HTR2AHTR7LMNAALDH1A1MAPT
SCHEMBL9033694 0.92 HTR1D (0.52) HTR2AHTR7LMNAALDH1A1MAPT
SCHEMBL9034575 0.90 MEN1 (0.48) HTR2AHTR7LMNAALDH1A1MAPT
SCHEMBL9036825 0.88 MEN1 (0.49) HTR2AHTR7LMNAALDH1A1MAPT
SCHEMBL9034357 0.86 DRD2 (0.60) HTR2AHTR7LMNAALDH1A1MAPT
SCHEMBL9034110 0.86 KDM4E (0.49) HTR2AHTR7LMNAALDH1A1MAPT
SCHEMBL9034645 0.85 RAD52 (0.51) HTR7LMNAALDH1A1MAPTKDM4E
SCHEMBL9034780 0.84 HTR1A (0.56) HTR2AHTR7LMNAALDH1A1KDM4E
SCHEMBL9034241 0.84 HTR7 (0.45) HTR2AHTR7MAPTKDM4ERAB9A
SCHEMBL9034948 0.84 KCNH2 (0.52) HTR2AHTR7KDM4EMEN1KMT2A

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
EP-0722942-A1 Indole piperidine derivatives MERCK PATENT GmbH (DE) 1996-07-24 EP disclosed