SCHEMBL9757358

SCHEMBL9757358

O=S1(=O)c2cccc3cncc(c23)N1CCCC1CC(c2ccccc2)=CCN1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.41
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
HTR6 P50406 2/20 0.39
NPC1 O15118 1/20 0.38

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
Hydrochloric Acid SCHEMBL9757172 0.99 HTR7 (0.40) HTR7KDM4EHSD17B10ALDH1A1TDP1
SCHEMBL9757270 0.82 HTR7 (0.51) HTR7KDM4EHSD17B10ALDH1A1TDP1
SCHEMBL9757373 0.82 HTR7 (0.52) HTR7KDM4EHSD17B10ALDH1A1TDP1
SCHEMBL9757411 0.81 HTR7 (0.36) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9757622 0.81 HTR7 (0.40) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9757237 0.76 HTR1A (0.34) HTR7HSD17B10ALDH1A1HTR1ADRD2
SCHEMBL9757366 0.76 HTR7 (0.49) HTR7
SCHEMBL9757507 0.76 TP53 (0.35) HTR7KDM4EALDH1A1NPC1
Hydrochloric Acid SCHEMBL9757178 0.76 HTR7 (0.48) HTR7
SCHEMBL9726229 0.70 HTR7 (0.48) HTR7ALDH1A1HTR1ADRD2HTR2A

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