SCHEMBL9757528

SCHEMBL9757528

O=S1(=O)c2cccc3c(Cl)ccc(c23)N1CCCN1CC=C(c2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46

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
SCHEMBL9873768 0.89 HTR7 (0.44) HTR7
SCHEMBL9873403 0.86 PARP1 (0.48) PARP1
SCHEMBL9757450 0.85 HTR7 (0.61) HTR7
SCHEMBL9873171 0.83 SIGMAR1 (0.40)
SCHEMBL9757173 0.83 HTR7 (0.64) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9757366 0.80 HTR7 (0.49) HTR7
Hydrochloric Acid SCHEMBL9757178 0.79 HTR7 (0.48) HTR7
SCHEMBL9757629 0.79 HTR7 (0.54) HTR7
SCHEMBL9757463 0.78 HTR7 (0.63) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9757622 0.77 HTR7 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5036075-A Serotonin antagonists RHONE-POULENC SANTE (FR) 1991-07-30 US disclosed
US-5021420-A Antiserotonine agents; central nervous system, gastroin-testinal and cardiovascular disorders RHONE-POULENC SANTE (FR) 1991-06-04 US disclosed