SCHEMBL7828641

SCHEMBL7828641

CC(=O)N(CCCCN1CCN(c2csc3cc(F)ccc23)CC1)C(=O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.54
DRD4 P21917 2/20 0.54
ADRA1A P35348 1/20 0.53
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.41
HTR1A P08908 4/20 0.40
DRD2 P14416 4/20 0.40
HTR7 P34969 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL7828647 0.81 HTR1A (0.38) HTR2ADRD4MAPTTP53HTR1A
SCHEMBL7830765 0.80 ADRA1A (0.67) HTR2ADRD4ADRA1AMAPTTP53
SCHEMBL7824411 0.79 ADRA1A (0.70) HTR2ADRD4ADRA1AMAPTTP53
SCHEMBL8649198 0.77 HTR2A (0.43) HTR2ADRD4ADRA1AMAPTTP53
SCHEMBL7815509 0.76 HTR2A (0.61) HTR2ADRD4ADRA1AMAPTTP53
SCHEMBL8651520 0.75 HTR2A (0.59) HTR2ADRD4ADRA1AMAPTTP53
SCHEMBL14048396 0.74 HTR2A (0.49) HTR2ADRD4ADRA1AMAPTTP53
SCHEMBL7816876 0.74 ADRA1A (0.66) HTR2ADRD4ADRA1AHTR1ADRD2
SCHEMBL7817436 0.74 HTR2A (0.56) HTR2ADRD4ADRA1AMAPTTP53
SCHEMBL13200718 0.74 ADRA1A (0.56) HTR2ADRD4ADRA1AMAPTTP53

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-0732332-A1 Substituted benzothienylpiperazines, their use as medicaments, and processes for their preparation HOECHST MARION ROUSSEL, INC. (US) 1996-09-18 EP claimed
EP-0732332-B1 Substituted benzothienylpiperazines, their use as medicaments, and processes for their preparation AVENTIS PHARMA INC (US) 2001-12-19 EP disclosed
EP-0732332-A1 Substituted benzothienylpiperazines, their use as medicaments, and processes for their preparation HOECHST MARION ROUSSEL, INC. (US) 1996-09-18 EP disclosed