SCHEMBL7993271

SCHEMBL7993271

Cc1cccc(N2CCN(CCCCN3C(=O)CSC3(C)C)CC2)c1S

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 2/20 0.50
HTR7 P34969 2/20 0.45
HTR1A P08908 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43

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
Hydrochloric Acid SCHEMBL7997103 0.99 ADRA1B (0.52) ADRA1BHTR7HTR1AADRA1DADRA1A
SCHEMBL7989822 0.80 HTR1A (0.67) ADRA1BHTR7HTR1AADRA1DADRA1A
SCHEMBL7993848 0.79 KCNH2 (0.64) DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL7979124 0.78 KCNH2 (0.63) DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL7979189 0.78 HTR1A (0.64) ADRA1BHTR7HTR1AADRA1DADRA1A
SCHEMBL7979187 0.77 KCNH2 (0.64)
SCHEMBL9666741 0.77 HTR1A (0.40) ADRA1BHTR1AADRA1ADRD2
Hydrochloric Acid SCHEMBL7979008 0.76 KCNH2 (0.63)
SCHEMBL7993273 0.74 MAPT (0.46) HTR7
Hydrochloric Acid SCHEMBL7997105 0.74 MAPT (0.45) HTR7

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
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 claimed
US-6284775-B1 PSYCHOLOGICAL DISORDERS AVENTIS PHARMACEUTICALS INC. 2001-09-04 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