SCHEMBL7991447

SCHEMBL7991447

O=C1CSCN1CCCCN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.54
GRIN1 Q05586 1/20 0.52
GRIN2B Q13224 1/20 0.52
DRD2 P14416 1/20 0.50
DRD1 P21728 1/20 0.50
DRD5 P21918 1/20 0.50
HTR2A P28223 1/20 0.50
DRD3 P35462 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL7993610 0.87 DRD2 (0.56) HTR1ADRD2DRD1DRD5HTR2A
Hydrochloric Acid SCHEMBL7993385 0.86 DRD2 (0.55) HTR1ADRD2DRD1DRD5HTR2A
SCHEMBL8011318 0.80 DRD2 (0.69) HTR1ADRD2DRD1DRD5HTR2A
SCHEMBL9671074 0.80 HTR1A (0.58) HTR1ASIGMAR1
SCHEMBL7997136 0.79 KCNH2 (0.67)
SCHEMBL7996696 0.78 KCNH2 (0.66)
Hydrochloric Acid SCHEMBL7990518 0.78 KCNH2 (0.66)
SCHEMBL7991242 0.78 HTR7 (0.65) DRD2DRD1DRD5DRD3SIGMAR1
SCHEMBL7991479 0.77 DRD3 (0.43) HTR1ADRD2DRD1HTR2ADRD3
Hydrochloric Acid SCHEMBL7979104 0.77 KCNH2 (0.64)

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