Toluene

Toluene

SCHEMBL10503183

Cc1ccccc1.Fc1ccc2c(CCCCl)noc2c1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.46
DRD2 P14416 11/20 0.46
HTR7 P34969 11/20 0.46
HTR6 P50406 11/20 0.46
HTR1A P08908 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL5407608 0.89 DRD2 (0.47) HTR2ADRD2HTR7HTR6
SCHEMBL6870309 0.84 DRD2 (0.45) HTR2ADRD2HTR7HTR6
SCHEMBL8249064 0.78 DRD2 (0.47) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL7539608 0.76 DRD2 (0.47) HTR2ADRD2HTR7HTR6
SCHEMBL15266105 0.76 HTR2A (0.47) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL5511869 0.75 LMNA (0.51) HTR2ADRD2HTR7HTR6
SCHEMBL11011062 0.73 ACHE (0.54) HTR2ADRD2HTR7HTR6
Hydrochloric Acid SCHEMBL10640845 0.72 ACHE (0.53) HTR2ADRD2HTR7HTR6
SCHEMBL5450472 0.72 DRD2 (0.43) HTR2ADRD2HTR7HTR6
SCHEMBL24410388 0.72 DRD2 (0.47) HTR2ADRD2HTR7HTR6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0104632-B1 1'-(3-(1,2-BENZISOXAZOL-3-YL)PROPYL)SPIRO-(BENZOFURAN-2-(3H),3' OR 4'-PIPERIDINE OR 3'-PYRROLIDINES), A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-03-01 EP disclosed
EP-0104632-A2 1'-(3-(1,2-Benzisoxazol-3-yl)propyl)spiro-(benzofuran-2-(3H),3' or 4'-piperidine or 3'-pyrrolidines), a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1984-04-04 EP disclosed
US-4420485-A HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-12-13 US disclosed