SCHEMBL7993346

SCHEMBL7993346

CC1SCC(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.63
SIGMAR1 Q99720 1/20 0.53
HTR1A P08908 3/20 0.53
HTR7 P34969 2/20 0.53
DRD2 P14416 1/20 0.53
HTR2A P28223 1/20 0.53
HTR6 P50406 1/20 0.53

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 SCHEMBL7991007 0.99 KCNH2 (0.62) KCNH2SIGMAR1HTR1AHTR7DRD2
SCHEMBL7979085 0.81 HTR1A (0.51) SIGMAR1HTR1AHTR7DRD2HTR2A
Hydrochloric Acid SCHEMBL7978759 0.80 HTR1A (0.50) SIGMAR1HTR1AHTR7DRD2HTR2A
SCHEMBL4525555 0.79 KCNH2 (1.00) KCNH2SIGMAR1HTR1AHTR7DRD2
SCHEMBL30767216 0.78 KCNH2 (0.90) KCNH2SIGMAR1HTR1AHTR7DRD2
SCHEMBL7989840 0.77 HTR1A (0.55) KCNH2SIGMAR1HTR1AHTR7DRD2
SCHEMBL13875118 0.77 KCNH2 (0.83) KCNH2SIGMAR1HTR1AHTR7DRD2
SCHEMBL7979187 0.76 KCNH2 (0.64) KCNH2
Hydrochloric Acid SCHEMBL7658247 0.76 KCNH2 (0.88) KCNH2SIGMAR1HTR1AHTR7DRD2
SCHEMBL11169900 0.76 KCNH2 (0.67) KCNH2HTR1AHTR7DRD2HTR2A

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-5037984-A Anticonvulsants; anxiolytic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-08-06 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