SCHEMBL9033765

SCHEMBL9033765

O=C(O)c1ccc2[nH]cc(C3CCN(CCN4C(=O)c5cccc6cccc(c56)C4=O)CC3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 7/20 0.49
HTR1A P08908 2/20 0.47
SLC6A4 P31645 2/20 0.47
HTR7 P34969 2/20 0.47
HTR2A P28223 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 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
DRD2 P14416 2/20 0.46
HTR6 P50406 1/20 0.46
HTR1B P28222 4/20 0.45
CHRM2 P08172 1/20 0.45

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
SCHEMBL9033141 0.93 HTR2A (0.47) HTR1DSLC6A4HTR7HTR2AKDM4E
SCHEMBL9034645 0.92 RAD52 (0.51) HTR1DHTR1ASLC6A4HTR7KDM4E
SCHEMBL9034449 0.90 SLC6A4 (0.49) HTR1DHTR1ASLC6A4MEN1KMT2A
SCHEMBL9035807 0.88 CYP1A2 (0.54) HTR1DHTR1ASLC6A4HTR7HTR2A
SCHEMBL9035794 0.88 HTR1D (0.49) HTR1DHTR1ASLC6A4KDM4EALDH1A1
SCHEMBL9033683 0.86 SLC6A4 (0.64) HTR1ASLC6A4HTR7HTR2ADRD2
SCHEMBL9034427 0.86 OPRM1 (0.57) HTR1ASLC6A4HTR7HTR2AKDM4E
SCHEMBL9033694 0.85 HTR1D (0.52) HTR1DSLC6A4HTR7HTR2AKDM4E
SCHEMBL9032917 0.84 SLC6A4 (0.65) HTR1ASLC6A4HTR7HTR2ADRD2
SCHEMBL9051682 0.84 KCNH2 (0.52) HTR1ASLC6A4HTR7DRD2HTR6

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