SCHEMBL9726243

SCHEMBL9726243

O=S1(=O)N(CCN2CCN(c3ccc(F)cc3)CC2)c2cccc3c2N1CCC3

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.64
DRD2 P14416 5/20 0.64
HTR2A P28223 4/20 0.64
HTR7 P34969 2/20 0.64
HTR6 P50406 2/20 0.64
LMNA P02545 4/20 0.54
SLC6A4 P31645 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPK1 P28482 2/20 0.54
GMNN O75496 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54
CYP2C19 P33261 1/20 0.54
THPO P40225 1/20 0.54
PMP22 Q01453 1/20 0.54

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
SCHEMBL9726193 0.94 HTR7 (0.73) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9726205 0.94 HTR2A (0.70) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9726198 0.84 DRD2 (0.70) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7793840 0.76 HTR2A (0.59) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9726206 0.74 HTR2A (0.62) HTR1ADRD2HTR2AHTR7HTR6
Rp-68303 SCHEMBL9635292 0.73 KDM4E (0.60) HTR2ALMNASLC6A4ALDH1A1MAPT
SCHEMBL9726221 0.73 HTR2A (0.64) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7793847 0.71 SLC6A4 (1.00) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL4850144 0.69 HTR2A (0.47) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9726239 0.67 HTR2A (0.57) HTR1ADRD2HTR2AHTR7HTR6

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
US-5130313-A Central nervous system disorders, cardiovascular disorders or gastrointestinal disorders RHONE-POULENC SANTE (FR) 1992-07-14 US disclosed