SCHEMBL9033713

SCHEMBL9033713

O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCC(c2c[nH]c3ccc(OC(F)(F)F)cc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.51
HTR1A P08908 10/20 0.51
DRD2 P14416 5/20 0.46
HTR7 P34969 5/20 0.46
HTR6 P50406 5/20 0.46
HTR2A P28223 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 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
SCHEMBL9032917 0.89 SLC6A4 (0.65) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL9033683 0.86 SLC6A4 (0.64) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL9035807 0.84 CYP1A2 (0.54) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL9034427 0.84 OPRM1 (0.57) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL9034449 0.82 SLC6A4 (0.49) SLC6A4HTR1ADRD2MEN1KMT2A
SCHEMBL9034780 0.82 HTR1A (0.56) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL9051682 0.82 KCNH2 (0.52) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL9033765 0.82 HTR1D (0.49) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL9034948 0.82 KCNH2 (0.52) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL9034645 0.81 RAD52 (0.51) SLC6A4HTR1ADRD2HTR7HTR6

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