SCHEMBL8554833

SCHEMBL8554833

O=C(O)Oc1ccc2[nH]cc(C3CCN(CCCc4c[nH]c5ccc(C(=O)O)cc45)CC3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.54
HTR1A P08908 3/20 0.51
HTR1D P28221 7/20 0.49
SLC6A4 P31645 2/20 0.49
KCNH2 Q12809 1/20 0.49
HTR1B P28222 5/20 0.49
DRD2 P14416 2/20 0.49
CHRM2 P08172 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 1/20 0.49
APEX1 P27695 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTR2A P28223 1/20 0.47
HTR6 P50406 1/20 0.47

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
SCHEMBL8557795 0.97 KDM4E (0.52) HTR7HTR1DHTR1BDRD2CHRM2
SCHEMBL8554831 0.92 HTR7 (0.61) HTR7HTR1AHTR1DSLC6A4KCNH2
SCHEMBL8555729 0.91 HTR1A (0.64) HTR7HTR1ASLC6A4DRD2HTR2A
SCHEMBL8557415 0.91 HTR1A (0.64) HTR7HTR1ASLC6A4DRD2HTR2A
SCHEMBL8557416 0.90 HTR1A (0.65) HTR7HTR1ASLC6A4DRD2HTR2A
SCHEMBL8557793 0.89 KDM4E (0.59) HTR7HTR1DHTR1BDRD2CHRM2
SCHEMBL8559489 0.89 HTR1A (0.60) HTR7HTR1ASLC6A4DRD2HTR2A
SCHEMBL8558340 0.89 HTR1A (0.60) HTR7HTR1ASLC6A4DRD2HTR2A
SCHEMBL8559491 0.88 HTR1A (0.61) HTR7HTR1ASLC6A4DRD2HTR2A
SCHEMBL8556927 0.87 HTR7 (0.68) HTR7HTR1AHTR1DSLC6A4KCNH2

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
EP-0683166-B1 3-Indolylpiperidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
EP-0683166-A1 3-Indolylpiperidines MERCK PATENT GmbH (DE) 1995-11-22 EP disclosed