SCHEMBL7993442

SCHEMBL7993442

CC1(C)SCN(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.64
DRD3 P35462 2/20 0.59
DRD2 P14416 1/20 0.59
DRD5 P21918 1/20 0.59
SIGMAR1 Q99720 1/20 0.56
DRD1 P21728 1/20 0.56

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 SCHEMBL7996662 0.99 HTR7 (0.63) HTR7DRD3DRD2DRD5SIGMAR1
SCHEMBL7993196 0.85 KCNH2 (0.63)
Hydrochloric Acid SCHEMBL7979169 0.84 KCNH2 (0.62)
SCHEMBL7989958 0.82 HTR7 (0.64) HTR7DRD3DRD2DRD5SIGMAR1
SCHEMBL7993172 0.80 HTR7 (0.68) HTR7DRD3DRD2DRD5SIGMAR1
SCHEMBL7991242 0.80 HTR7 (0.65) HTR7DRD3DRD2DRD5SIGMAR1
Hydrochloric Acid SCHEMBL7993796 0.78 HTR7 (0.62) HTR7DRD3DRD2DRD5SIGMAR1
Hydrochloric Acid SCHEMBL7993795 0.78 HTR7 (0.62) HTR7DRD3DRD2DRD5SIGMAR1
SCHEMBL11465528 0.78 SIGMAR1 (0.76) HTR7DRD3DRD2SIGMAR1DRD1
SCHEMBL13875122 0.78 SIGMAR1 (0.71) HTR7DRD3DRD2SIGMAR1

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