SCHEMBL9034948

SCHEMBL9034948

O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCC(c2c[nH]c3cc(C(F)(F)F)ccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.52
SLC6A4 P31645 3/20 0.46
DRD2 P14416 2/20 0.46
HTR7 P34969 2/20 0.45
HTR2A P28223 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR1A P08908 2/20 0.44
HTR6 P50406 1/20 0.44
ADRA1D P25100 2/20 0.44
CCR2 P41597 1/20 0.44
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
RAD52 P43351 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL9034357 0.88 DRD2 (0.60) KCNH2SLC6A4DRD2HTR7HTR2A
SCHEMBL9034110 0.86 KDM4E (0.49) SLC6A4DRD2HTR7HTR2AMEN1
SCHEMBL9033141 0.84 HTR2A (0.47) SLC6A4DRD2HTR7HTR2AMEN1
SCHEMBL9034780 0.84 HTR1A (0.56) SLC6A4DRD2HTR7HTR2AKMT2A
SCHEMBL9034241 0.84 HTR7 (0.45) KCNH2SLC6A4DRD2HTR7HTR2A
SCHEMBL9033694 0.83 HTR1D (0.52) SLC6A4DRD2HTR7HTR2AMEN1
SCHEMBL9035214 0.83 MEN1 (0.47) SLC6A4DRD2HTR7HTR2AMEN1
SCHEMBL9033683 0.83 SLC6A4 (0.64) SLC6A4DRD2HTR7HTR2AHTR1A
SCHEMBL9033713 0.82 SLC6A4 (0.51) SLC6A4DRD2HTR7HTR2AMEN1
SCHEMBL9034575 0.81 MEN1 (0.48) SLC6A4DRD2HTR7HTR2AMEN1

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