SCHEMBL7996866

SCHEMBL7996866

O=C(OC1SC(c2ccccc2)C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)C(=O)OC1SC(c2ccccc2)C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.54
DRD3 P35462 1/20 0.54
HTR7 P34969 5/20 0.54
SIGMAR1 Q99720 1/20 0.52
HTR1A P08908 1/20 0.50
HTR2A P28223 1/20 0.50
HTR6 P50406 1/20 0.50

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
Oxalic Acid SCHEMBL7996861 0.78 HTR7 (0.56) DRD2DRD3HTR7SIGMAR1HTR1A
SCHEMBL7993783 0.78 HTR7 (0.60) DRD2DRD3HTR7SIGMAR1HTR1A
SCHEMBL2113032 0.73 SIGMAR1 (0.69) DRD2DRD3HTR7SIGMAR1
SCHEMBL4938916 0.72 SIGMAR1 (0.67) DRD2DRD3HTR7SIGMAR1HTR1A
SCHEMBL4687501 0.72 SIGMAR1 (0.67) DRD2DRD3HTR7SIGMAR1HTR1A
SCHEMBL2114093 0.72 SIGMAR1 (0.67) DRD2DRD3HTR7SIGMAR1HTR2A
SCHEMBL7978907 0.71 HTR7 (0.59) DRD2DRD3HTR7SIGMAR1HTR1A
Hydrochloric Acid SCHEMBL4929355 0.71 SIGMAR1 (0.66) DRD2DRD3HTR7SIGMAR1HTR1A
SCHEMBL11465528 0.71 SIGMAR1 (0.76) DRD2DRD3HTR7SIGMAR1HTR1A
SCHEMBL10677695 0.71 HTR7 (0.77) DRD2DRD3HTR7SIGMAR1HTR1A

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 8 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
EP-0316723-B1 3-[4(1-Substituted-4-piperazinyl)butyl]-4-thiazolidinones a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-09-30 EP disclosed
US-5136037-A 3-(4-substituted-4-piperazinyl)butyl-4-thiazolidinone and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-08-04 US disclosed
US-5037984-A Anticonvulsants; anxiolytic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-08-06 US disclosed
US-4933453-A ANTIPSYCHOTIC, ANALGESIC, ANTICONVULSANT, AND ANXIOLYTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-12 US disclosed
EP-0316723-A1 3-[4(1-Substituted-4-piperazinyl)butyl]-4-thiazolidinones a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-05-24 EP disclosed