SCHEMBL7991560

SCHEMBL7991560

CC1(C)N(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)CS1(=O)=O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.66
DRD2 P14416 6/20 0.56
HTR1A P08908 6/20 0.56
HTR2A P28223 5/20 0.56
DRD5 P21918 3/20 0.56
DRD3 P35462 3/20 0.56
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
HTR6 P50406 3/20 0.55
SIGMAR1 Q99720 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
SCHEMBL7978917 0.85 KCNH2 (0.62) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL7978922 0.85 KCNH2 (0.62) HTR7DRD2DRD3
SCHEMBL7993417 0.83 MAPT (0.46) HTR7HTR1AHTR6
SCHEMBL7993172 0.82 HTR7 (0.68) HTR7DRD2HTR1ADRD5DRD3
SCHEMBL7989958 0.81 HTR7 (0.64) HTR7DRD2HTR1AHTR2ADRD5
SCHEMBL11465528 0.78 SIGMAR1 (0.76) HTR7DRD2HTR1AHTR2ADRD3
SCHEMBL7991595 0.77 HTR7 (0.64) HTR7DRD2HTR1AHTR2ADRD5
SCHEMBL13875122 0.77 SIGMAR1 (0.71) HTR7DRD2HTR1ADRD3ADRA1A
SCHEMBL13875120 0.75 SIGMAR1 (0.69) HTR7DRD2HTR1ADRD3SIGMAR1
SCHEMBL11405931 0.75 SIGMAR1 (0.69) HTR7DRD2HTR1AHTR2ADRD5

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