SCHEMBL9726229

SCHEMBL9726229

O=C1c2cccc3cccc(c23)N1CCCC1CC(c2ccccc2)=CCN1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 12/20 0.48
HTR1A P08908 11/20 0.47
DRD2 P14416 11/20 0.47
HTR2A P28223 11/20 0.47
HTR6 P50406 11/20 0.47
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
MPI P34949 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9720971 0.73 HPGD (0.70) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9720957 0.70 ALDH1A1 (0.67) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9757358 0.70 HTR7 (0.41) HTR7HTR1ADRD2HTR2AHTR6
Hydrochloric Acid SCHEMBL9757172 0.69 HTR7 (0.40) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9757270 0.69 HTR7 (0.51) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL7131251 0.68 ALDH1A1 (0.71) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9290382 0.68 HEXA (0.64) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9868832 0.68 SIGMAR1 (0.39) DRD2HTR2A
SCHEMBL9720954 0.68 MAPT (0.67) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL24991893 0.67 HPGD (0.60) HTR7HTR1ADRD2HTR2AHTR6

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