SCHEMBL7991589

SCHEMBL7991589

CC1(C)SCN(CCCCN2CCN(c3cc4ccccc4cn3)CC2)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.50
HTR1A P08908 4/20 0.46
HTR2A P28223 4/20 0.46
DRD3 P35462 4/20 0.46
HTR2C P28335 2/20 0.46
DRD2 P14416 1/20 0.46

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
SCHEMBL7990533 0.86 HTR3A (0.46) HTR3AHTR1AHTR2ADRD3HTR2C
SCHEMBL9670084 0.85 HTR3A (0.45) HTR3AHTR1AHTR2ADRD3HTR2C
SCHEMBL7996707 0.82 HTR1A (0.63) HTR3AHTR1ADRD3DRD2
SCHEMBL7978893 0.76 ADRA1B (0.60) HTR1A
SCHEMBL9671085 0.76 HTR3A (0.46) HTR3AHTR1AHTR2ADRD3HTR2C
SCHEMBL7989830 0.76 NPC1 (0.55)
Hydrochloric Acid SCHEMBL7993847 0.75 ADRA1B (0.61) HTR1A
SCHEMBL7991554 0.75 HTR1A (0.60) HTR1A
SCHEMBL7993196 0.74 KCNH2 (0.63)
SCHEMBL9672137 0.74 HTR3A (0.43) HTR3AHTR1AHTR2ADRD3HTR2C

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4933453-A ANTIPSYCHOTIC, ANALGESIC, ANTICONVULSANT, AND ANXIOLYTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-12 US claimed
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