SCHEMBL7991479

SCHEMBL7991479

O=C1CSCN1CCCCN1CCN(c2cccc(F)n2)CC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.43
DRD1 P21728 2/20 0.43
KCNH2 Q12809 1/20 0.42
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL7993335 0.81 HTR1A (0.62) DRD3HTR1ADRD2
SCHEMBL7991447 0.77 HTR1A (0.54) DRD3DRD1HTR1ADRD2HTR2A
SCHEMBL14761536 0.76 KCNH2 (0.50) DRD3DRD1KCNH2HTR1ADRD2
SCHEMBL14761873 0.76 HTR1A (0.69) DRD3HTR1ADRD2DRD4HTR2A
SCHEMBL9671074 0.75 HTR1A (0.58) HTR1A
SCHEMBL14761284 0.75 DRD2 (0.48) DRD3DRD1KCNH2HTR1ADRD2
SCHEMBL14761822 0.75 CYP2D6 (0.53) DRD3DRD1KCNH2HTR1ADRD2
SCHEMBL14761373 0.75 DRD3 (0.48) DRD3DRD1KCNH2HTR1ADRD2
SCHEMBL7997136 0.74 KCNH2 (0.67) KCNH2
SCHEMBL7990208 0.74 ADRA1A (0.65) DRD3DRD1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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