SCHEMBL9033100

SCHEMBL9033100

CCc1cccc2c(C3CCN(CCON4C(=O)c5cccc6cccc(c56)C4=O)CC3)c[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
HTR7 P34969 2/20 0.40
HTR2A P28223 1/20 0.40
DRD2 P14416 1/20 0.40
SLC6A4 P31645 1/20 0.40
OPRM1 P35372 4/20 0.39
OPRK1 P41145 4/20 0.39
OPRL1 P41146 4/20 0.39
HTR6 P50406 1/20 0.37
ADRA1D P25100 1/20 0.37
HPGD P15428 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL9034191 0.79 DRD2 (0.57) HTR7HTR2ADRD2SLC6A4OPRM1
SCHEMBL9035549 0.79 HTR1A (0.59) HTR7HTR2ADRD2SLC6A4OPRM1
SCHEMBL9035121 0.78 HTR7 (0.41) TDP1HTR7HTR2ASLC6A4ADRA1D
SCHEMBL8721112 0.69 OPRM1 (0.48) HTR7HTR2ADRD2SLC6A4OPRM1
SCHEMBL9032917 0.69 SLC6A4 (0.65) HTR7HTR2ADRD2SLC6A4HTR6
SCHEMBL9034780 0.69 HTR1A (0.56) HTR7HTR2ADRD2SLC6A4HTR6
SCHEMBL8723523 0.68 HTR2C (0.54) SLC6A4OPRM1OPRK1OPRL1HTR6
SCHEMBL9034110 0.67 KDM4E (0.49) HTR7HTR2ADRD2SLC6A4OPRM1
SCHEMBL9035807 0.67 CYP1A2 (0.54) HTR7HTR2ADRD2SLC6A4HTR6
SCHEMBL9034427 0.67 OPRM1 (0.57) TDP1HTR7HTR2ADRD2SLC6A4

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