SCHEMBL9534158

SCHEMBL9534158

COc1ccc2c(c1OC)SCCC2CN(C)CCc1cccs1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
SLC6A4 P31645 4/20 0.38
HTR1A P08908 3/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL9481977 0.82 SLC6A4 (0.39) DRD2SLC6A4HTR1AALDH1A1LMNA
Hydrochloric Acid SCHEMBL9521526 0.81 SLC6A4 (0.52) SLC6A4HTR1AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL9669426 0.81 SLC6A4 (0.39) DRD2SLC6A4HTR1AALDH1A1LMNA
SCHEMBL9535109 0.79 DRD2 (0.46) DRD2SLC6A4HTR1AALDH1A1DRD4
Hydrochloric Acid SCHEMBL9520231 0.73 SLC6A4 (0.47) SLC6A4HTR1AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL9520310 0.72 DRD2 (0.55) DRD2SLC6A4HTR1AALDH1A1DRD4
Hydrochloric Acid SCHEMBL9521365 0.72 DRD2 (0.55) DRD2DRD4
Hydrochloric Acid SCHEMBL9520957 0.71 SLC6A4 (0.47) SLC6A4HTR1AADRA2AADRA2BADRA2C
SCHEMBL9482697 0.71 HTR1A (0.48) DRD2SLC6A4HTR1ADRD4
Hydrochloric Acid SCHEMBL9520421 0.71 DRD2 (0.51) DRD2SLC6A4HTR1ADRD4

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
EP-0396620-B1 AMINOMETHYL-CHROMAN AND -THIOCHROMAN COMPOUNDS ABBOTT LABORATORIES (US) 1993-08-11 EP claimed