SCHEMBL7978893

SCHEMBL7978893

Cc1ccccc1N1CCN(CCCCN2CSC(C)(C)C2=O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 2/20 0.60
HTR1A P08908 1/20 0.54
HTR7 P34969 1/20 0.54
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51

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 SCHEMBL7993847 0.99 ADRA1B (0.61) ADRA1BHTR1AHTR7
SCHEMBL7991407 0.91 DRD2 (0.50) ADRA1BADRA1A
Hydrochloric Acid SCHEMBL7978999 0.90 ADRA1B (0.51) ADRA1BADRA1A
SCHEMBL7991570 0.85 HTR1A (0.60) ADRA1BHTR1AHTR7ADRA1DADRA1A
Hydrochloric Acid SCHEMBL7990511 0.84 HTR1A (0.59) ADRA1BHTR1AHTR7ADRA1DADRA1A
SCHEMBL7993196 0.80 KCNH2 (0.63)
SCHEMBL7978940 0.79
Hydrochloric Acid SCHEMBL7979169 0.79 KCNH2 (0.62)
SCHEMBL7993180 0.79 ADRA1B (0.65) ADRA1BHTR1AHTR7ADRA1DADRA1A
Hydrochloric Acid SCHEMBL7991413 0.78 ADRA1B (0.67) ADRA1BHTR1AHTR7ADRA1DADRA1A

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 7 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
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