SCHEMBL9018047

SCHEMBL9018047

COc1cc(C(C)=O)ccc1OCCCN1CCN(c2csc3cc(F)ccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.57
HTR2A P28223 3/20 0.57
ADRA1A P35348 2/20 0.57
HTR1A P08908 2/20 0.57
ABCB11 O95342 1/20 0.57
CHRM2 P08172 1/20 0.57
ADRA2A P08913 1/20 0.57
CHRM1 P11229 1/20 0.57
DRD2 P14416 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
DRD1 P21728 1/20 0.57
ACHE P22303 1/20 0.57
SLC6A2 P23975 1/20 0.57
HTR2C P28335 1/20 0.57
SLC6A4 P31645 1/20 0.57
CCKBR P32239 1/20 0.57
HRH1 P35367 1/20 0.57
OPRM1 P35372 1/20 0.57
DRD3 P35462 1/20 0.57

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
SCHEMBL9596902 0.90 ADRA1A (0.51) DRD4HTR2AADRA1AHTR1AABCB11
SCHEMBL9597973 0.90 HTR1A (0.47) DRD4HTR2AADRA1AHTR1AABCB11
SCHEMBL9018128 0.89 ADRA1A (0.52) DRD4HTR2AADRA1AHTR1AABCB11
SCHEMBL9597499 0.89 HTR1A (0.52) DRD4HTR2AADRA1AHTR1AABCB11
SCHEMBL9018113 0.86 HTR2A (0.54) DRD4HTR2AADRA1AHTR1ADRD2
SCHEMBL9018038 0.86 DRD2 (0.54) DRD4HTR2AADRA1AHTR1ADRD2
SCHEMBL9018354 0.85 HTR1A (0.48) DRD4HTR2AADRA1AHTR1ADRD2
SCHEMBL8558649 0.84 HRH3 (0.47) DRD4HTR2AADRA1AHTR1AABCB11
SCHEMBL9018175 0.81 HTR2A (0.49) DRD4HTR2AADRA1AHTR1ADRD2
SCHEMBL8552021 0.81 MEN1 (0.48) DRD4HTR2AADRA1AHTR1AABCB11

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0570850-B1 Benzo(b)thiophen-3-yl-piperazines, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1996-12-11 EP claimed
EP-0570850-A1 Benzo(b)thiophen-3-yl-piperazines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-11-24 EP claimed
JP-6009617-A None JP disclosed
EP-0570850-B1 Benzo(b)thiophen-3-yl-piperazines, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1996-12-11 EP disclosed
JP-H069617-A BENZO(B)THIOPHEN-3-YL-PIPERAZINE, ITS PRODUCTION AND ITS USE AS MEDICINE HOECHST ROUSSEL PHARMACEUT INC 1994-01-18 JP disclosed
EP-0570850-A1 Benzo(b)thiophen-3-yl-piperazines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-11-24 EP disclosed
US-5240927-A Benzo[β]thiophen-3-yl piperazines as antipsychotic agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-08-31 US disclosed