SCHEMBL9722266

SCHEMBL9722266

COc1cc2c(cc1OC)[C@H](CN1CCN(c3noc4cc(F)ccc34)CC1)C2

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.49
DRD2 P14416 10/20 0.49
HTR2C P28335 2/20 0.49
HTR1A P08908 5/20 0.46
HTR7 P34969 2/20 0.45
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41

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
SCHEMBL9722378 0.87 DRD2 (0.49) HTR2ADRD2HTR1A
SCHEMBL9187663 0.83 HTR2A (0.53) HTR2ADRD2HTR2CHTR1AHTR7
Hydrochloric Acid SCHEMBL9722317 0.82 HTR2A (0.52) HTR2ADRD2HTR2CHTR1AHTR7
SCHEMBL9722220 0.80 DRD2 (0.43) HTR2ADRD2HTR2CHTR1AHTR7
SCHEMBL9722237 0.76 HTR2A (0.60) HTR2ADRD2HTR2CHTR1AHTR7
SCHEMBL9722234 0.76 HTR2A (0.60) HTR2ADRD2HTR2CHTR1AHTR7
SCHEMBL13448255 0.74 HTR2A (0.60) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL22302778 0.73 DRD2 (0.63) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL9722226 0.72 DRD2 (0.46) HTR2ADRD2HTR2CHTR1AHTR7
SCHEMBL9190222 0.70 HTR1A (0.50) HTR2ADRD2HTR1AHTR7

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
US-5173490-A Antipsychotic drugs having no side effects; anxiolytic agents; analgesics; tranquilizers; sedatives; antidepressants ADIR ET COMPAGNIE (FR) 1992-12-22 US disclosed