SCHEMBL7991398

SCHEMBL7991398

CCC1SCN(CCCCN2CCN(c3coc4ccccc34)CC2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.41
DRD3 P35462 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL7990176 0.76 DRD4 (0.45) DRD2DRD3ADRA1B
SCHEMBL7993916 0.69 HTR1A (0.58) DRD2DRD3SLC6A4
SCHEMBL3588307 0.68 ALDH1A1 (0.53) DRD2DRD3KDM4EALDH1A1SLC6A4
SCHEMBL11147698 0.68 SIGMAR1 (0.63) DRD2DRD3KDM4EALDH1A1
SCHEMBL6188172 0.67 HTR1A (0.41) DRD2DRD3SLC6A4ADRA1B
SCHEMBL8671179 0.67 KDM4E (0.36) DRD2KDM4EALDH1A1SLC6A4
SCHEMBL7996612 0.67 HTR1A (0.60) DRD2DRD3KDM4EALDH1A1ADRA1B
SCHEMBL7996633 0.65 HTR1A (0.58) DRD2DRD3SLC6A4
Hydrochloric Acid SCHEMBL7996501 0.65 HTR1A (0.57) DRD2DRD3SLC6A4
SCHEMBL6188196 0.65 HTR1A (0.44) DRD2SLC6A4ADRA1B

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