SCHEMBL7991595

SCHEMBL7991595

CC1N(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)C(C)(C)S1(=O)=O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.64
HTR1A P08908 5/20 0.55
HTR2A P28223 5/20 0.55
DRD2 P14416 4/20 0.55
DRD5 P21918 1/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
DRD3 P35462 1/20 0.55
HTR6 P50406 3/20 0.55
SIGMAR1 Q99720 1/20 0.54

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
SCHEMBL8671953 0.80 HTR7 (0.51) HTR7HTR1AHTR2ADRD2DRD5
SCHEMBL7989958 0.80 HTR7 (0.64) HTR7HTR1AHTR2ADRD2DRD5
SCHEMBL7991560 0.77 HTR7 (0.66) HTR7HTR1AHTR2ADRD2DRD5
SCHEMBL11465528 0.77 SIGMAR1 (0.76) HTR7HTR1AHTR2ADRD2ADRA1A
SCHEMBL7993442 0.76 HTR7 (0.64) HTR7DRD2DRD5DRD3SIGMAR1
SCHEMBL13875122 0.76 SIGMAR1 (0.71) HTR7HTR1ADRD2ADRA1ADRD3
Hydrochloric Acid SCHEMBL7996662 0.75 HTR7 (0.63) HTR7DRD2DRD5DRD3SIGMAR1
SCHEMBL7993172 0.75 HTR7 (0.68) HTR7HTR1ADRD2DRD5DRD3
SCHEMBL13875120 0.75 SIGMAR1 (0.69) HTR7HTR1ADRD2DRD3SIGMAR1
SCHEMBL11405931 0.75 SIGMAR1 (0.69) HTR7HTR1AHTR2ADRD2DRD5

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 4 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-5801186-A ANTIPSYCHOTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1998-09-01 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