SCHEMBL7978907

SCHEMBL7978907

O=C1C(c2ccccc2)S(=O)(=O)CN1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.59
DRD2 P14416 5/20 0.58
HTR1A P08908 5/20 0.58
HTR2A P28223 5/20 0.58
DRD3 P35462 3/20 0.58
DRD5 P21918 2/20 0.58
ADRA1D P25100 1/20 0.58
ADRA1A P35348 1/20 0.58
ADRA1B P35368 1/20 0.58
HTR6 P50406 3/20 0.58
SIGMAR1 Q99720 1/20 0.58
DRD1 P21728 1/20 0.55

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
SCHEMBL7993783 0.80 HTR7 (0.60) HTR7DRD2HTR1AHTR2ADRD3
Oxalic Acid SCHEMBL7996861 0.77 HTR7 (0.56) HTR7DRD2HTR1AHTR2ADRD3
SCHEMBL7989958 0.77 HTR7 (0.64) HTR7DRD2HTR1AHTR2ADRD3
SCHEMBL11465528 0.75 SIGMAR1 (0.76) HTR7DRD2HTR1AHTR2ADRD3
SCHEMBL10677695 0.75 HTR7 (0.77) HTR7DRD2HTR1AHTR2ADRD3
SCHEMBL9378627 0.74 SIGMAR1 (1.00) HTR7DRD2HTR1ADRD3DRD5
SCHEMBL21802017 0.73 HTR7 (0.76) HTR7DRD2HTR1AHTR2ADRD3
SCHEMBL11405931 0.73 SIGMAR1 (0.69) HTR7DRD2HTR1AHTR2ADRD3
SCHEMBL2113032 0.73 SIGMAR1 (0.69) HTR7DRD2DRD3DRD5ADRA1A
SCHEMBL10782032 0.73 HTR7 (0.80) HTR7DRD2HTR1AHTR2ADRD3

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
US-6284775-B1 PSYCHOLOGICAL DISORDERS AVENTIS PHARMACEUTICALS INC. 2001-09-04 US disclosed
US-5371087-A Antipsychotic, analgesics, anticonvulsant and anxiolytic agent HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-12-06 US disclosed
US-5229388-A 3-[4-(1-substituted-4-piperazinyl)butyl]-4-thiazolidinone and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-07-20 US disclosed