SCHEMBL7978892

SCHEMBL7978892

Cc1cccc(N2CCN(CCCCN3CSCC3=O)CC2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.54
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
DRD2 P14416 1/20 0.49
ADRA1A P35348 1/20 0.49
DRD3 P35462 1/20 0.49

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 SCHEMBL7993169 0.99 ADRA1B (0.56) ADRA1BMEN1ALDH1A1KMT2A
SCHEMBL7993180 0.91 ADRA1B (0.65) ADRA1BADRA1A
Hydrochloric Acid SCHEMBL7991413 0.89 ADRA1B (0.67) ADRA1BADRA1A
SCHEMBL7990208 0.82 ADRA1A (0.65) ADRA1BDRD2ADRA1ADRD3
Hydrochloric Acid SCHEMBL7989966 0.81 ADRA1A (0.67) ADRA1BDRD2ADRA1ADRD3
SCHEMBL7990544 0.81 HTR7 (0.66) ADRA1BMEN1ALDH1A1KMT2ADRD2
SCHEMBL7991407 0.80 DRD2 (0.50) ADRA1BMEN1ALDH1A1KMT2ADRD2
SCHEMBL7996696 0.79 KCNH2 (0.66)
Hydrochloric Acid SCHEMBL7978999 0.79 ADRA1B (0.51) ADRA1BMEN1ALDH1A1KMT2ADRD2
Hydrochloric Acid SCHEMBL7979104 0.78 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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