SCHEMBL9119904

SCHEMBL9119904

Brc1ccoc2c(N3CCNCC3)ccc1-2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.46
HTR2A P28223 2/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
HTR5A P47898 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD3 P35462 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ADRB1 P08588 1/20 0.38
NCF1 P14598 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL9119858 0.83 HTR7 (0.51) HTR1AHTR7ADRB1
SCHEMBL9119128 0.81 HTR1A (0.43) HTR6HTR2AHTR1AHTR7HTR5A
SCHEMBL9119205 0.81 ADRB1 (0.49) HTR6HTR2AHTR1AHTR7HTR5A
SCHEMBL2545151 0.71 HTR6 (0.47) HTR6HTR2AHTR1AHTR7HTR5A
SCHEMBL4586633 0.67 CASP3 (0.46) ADRB1HTR2C
SCHEMBL8707862 0.66 HTR6 (0.54) HTR6HTR7ADRB1NCF1HSP90AA1
SCHEMBL19212265 0.66 HTR6 (0.54) HTR6HTR2AHTR1AHTR7HTR5A
SCHEMBL232830 0.65 HTR6 (0.62) HTR6HTR2AHTR1AHTR7HTR5A
SCHEMBL29446041 0.65 HTR6 (0.62) HTR6HTR2AHTR1AHTR7HTR5A
SCHEMBL10677139 0.65 HTR6 (0.62) HTR6HTR2AHTR1AHTR7HTR5A

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-0189612-B1 NEW PHARMACEUTICAL COMPOSITIONS HAVING A PSYCHOTROPIC ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1992-11-04 EP claimed
EP-0189612-A1 New pharmaceutical compositions having a psychotropic activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1986-08-06 EP claimed
US-5424313-A Bibyclic heteroacrylpiperazine derivatives having psychotropic activity, and pharmaceutical compositions containing these derivatives DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1995-06-13 US disclosed
EP-0189612-B1 NEW PHARMACEUTICAL COMPOSITIONS HAVING A PSYCHOTROPIC ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1992-11-04 EP disclosed
EP-0189612-A1 New pharmaceutical compositions having a psychotropic activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1986-08-06 EP disclosed