SCHEMBL7993783

SCHEMBL7993783

O=C1C(c2ccccc2)SCN1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.60
DRD2 P14416 3/20 0.59
DRD3 P35462 3/20 0.59
DRD5 P21918 2/20 0.59
SIGMAR1 Q99720 1/20 0.59
DRD1 P21728 1/20 0.55
HTR1A P08908 1/20 0.55
HTR2A P28223 1/20 0.55
HTR6 P50406 1/20 0.55

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 0.96 HTR7 (0.56) HTR7DRD2DRD3DRD5SIGMAR1
SCHEMBL7978907 0.80 HTR7 (0.59) HTR7DRD2DRD3DRD5SIGMAR1
SCHEMBL7991242 0.78 HTR7 (0.65) HTR7DRD2DRD3DRD5SIGMAR1
SCHEMBL7996866 0.78 DRD2 (0.54) HTR7DRD2DRD3SIGMAR1HTR1A
Hydrochloric Acid SCHEMBL7993796 0.76 HTR7 (0.62) HTR7DRD2DRD3DRD5SIGMAR1
Hydrochloric Acid SCHEMBL7993795 0.76 HTR7 (0.62) HTR7DRD2DRD3DRD5SIGMAR1
SCHEMBL11465528 0.76 SIGMAR1 (0.76) HTR7DRD2DRD3SIGMAR1DRD1
SCHEMBL10677695 0.76 HTR7 (0.77) HTR7DRD2DRD3DRD5SIGMAR1
SCHEMBL7993442 0.75 HTR7 (0.64) HTR7DRD2DRD3DRD5SIGMAR1
SCHEMBL9378627 0.74 SIGMAR1 (1.00) HTR7DRD2DRD3DRD5SIGMAR1

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