SCHEMBL9312946

SCHEMBL9312946

O=C1Cc2cc(CCN3CCC(c4cccc5ccccc45)CC3)ccc2N1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.73
DRD2 P14416 13/20 0.73
HTR2A P28223 12/20 0.73
ADRA1D P25100 1/20 0.70
ADRA1A P35348 1/20 0.70
ADRA1B P35368 1/20 0.70
SLC6A4 P31645 2/20 0.51
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GRIN1 Q05586 1/20 0.44

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
SCHEMBL9046324 0.89 HTR1A (0.64) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL21485181 0.85 DRD2 (1.00) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL9045094 0.83 DRD2 (0.64) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL4603244 0.82 HTR1A (1.00) HTR1ADRD2HTR2AADRA1DADRA1A
Hydrochloric Acid SCHEMBL7098812 0.82 HTR1A (0.98) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL14560260 0.77 HTR1A (0.64) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL10420403 0.77 DRD2 (0.70) DRD2HTR2ASLC6A4SLC6A3
SCHEMBL18918650 0.76 DRD2 (1.00) HTR1ADRD2HTR2A
SCHEMBL7408743 0.76 DRD2 (0.86) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL14560259 0.75 HTR1A (0.63) HTR1ADRD2HTR2AADRA1DADRA1A

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-5294619-A N-(nitrogen-containing heterocyclylalkyl-phenyl-piperidines PFIZER INC. (US) 1994-03-15 US disclosed
US-5153206-A Neuroleptic agents for treating psychological disorders PFIZER INC. (US) 1992-10-06 US disclosed