SCHEMBL8552021

SCHEMBL8552021

COc1cc(C(C)=O)ccc1OCCCN1CCN(c2csc3ncccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HRH3 Q9Y5N1 4/20 0.48
HTR1A P08908 3/20 0.47
HTR2A P28223 3/20 0.47
ABCB11 O95342 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
ACHE P22303 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2C P28335 1/20 0.47
SLC6A4 P31645 1/20 0.47
CCKBR P32239 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL8557739 0.90 HRH3 (0.48) HRH3HTR1AHTR2A
SCHEMBL8558745 0.88 HRH3 (0.46) HRH3HTR1AHTR2ADRD2HTR2C
SCHEMBL8552155 0.88 MEN1 (0.48) MEN1KMT2AHRH3HTR1AHTR2A
SCHEMBL9597499 0.87 HTR1A (0.52) MEN1KMT2AHTR1AHTR2AABCB11
SCHEMBL8558649 0.84 HRH3 (0.47) MEN1KMT2AHRH3HTR1AHTR2A
SCHEMBL9018047 0.81 DRD4 (0.57) HTR1AHTR2AABCB11CHRM2ADRA2A
SCHEMBL9597973 0.81 HTR1A (0.47) HTR1AHTR2AABCB11CHRM2ADRA2A
SCHEMBL1545412 0.77 DRD2 (0.60) HTR1AHTR2ADRD2HTR2CADRA1A
SCHEMBL1544801 0.76 DRD2 (0.53) MEN1KMT2AHRH3HTR1AHTR2A
SCHEMBL8556374 0.75 DRD2 (0.63) HTR1AHTR2ADRD2HTR2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587048-B1 Heteroarenylpiperazines, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-11-25 EP claimed
EP-0587048-A2 Heteroarenylpiperazines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-03-16 EP claimed
US-5272148-A Heteroarenylpiperazines HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-12-21 US claimed
EP-0587048-B1 Heteroarenylpiperazines, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-11-25 EP disclosed
EP-0587048-A2 Heteroarenylpiperazines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-03-16 EP disclosed