SCHEMBL7823924

SCHEMBL7823924

Fc1ccc2c(N3CCN(CCCCN4Cc5ccccc5C4)CC3)csc2c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.58
DRD4 P21917 2/20 0.58
ADRA1A P35348 1/20 0.55
HTR1A P08908 3/20 0.46
DRD2 P14416 2/20 0.46
MAPT P10636 2/20 0.46
DRD3 P35462 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
Fumaric Acid SCHEMBL7835323 0.91 ADRA1A (0.54) HTR2ADRD4ADRA1AHTR1ADRD2
SCHEMBL7815509 0.85 HTR2A (0.61) HTR2ADRD4ADRA1AHTR1ADRD2
SCHEMBL7817256 0.84 HTR2A (0.56) HTR2ADRD4ADRA1AHTR1ADRD2
SCHEMBL8651520 0.83 HTR2A (0.59) HTR2ADRD4ADRA1AHTR1ADRD2
SCHEMBL4442569 0.83 HTR1A (0.65) HTR2ADRD4ADRA1AHTR1ADRD2
SCHEMBL9018059 0.82 HTR2A (0.56) HTR2ADRD4ADRA1AHTR1ADRD2
SCHEMBL4299920 0.81 HTR2A (0.57) HTR2ADRD4ADRA1AHTR1ADRD2
SCHEMBL7817436 0.81 HTR2A (0.56) HTR2ADRD4ADRA1AHTR1ADRD2
SCHEMBL4438394 0.80 HTR2A (0.56) HTR2ADRD4ADRA1AHTR1ADRD2
SCHEMBL9018113 0.80 HTR2A (0.54) HTR2ADRD4ADRA1AHTR1ADRD2

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-0732332-B1 Substituted benzothienylpiperazines, their use as medicaments, and processes for their preparation AVENTIS PHARMA INC (US) 2001-12-19 EP claimed