SCHEMBL7979523

SCHEMBL7979523

CC1SC(C)(C)C(=O)N1CCCCN1CCN(c2nsc3cc(Cl)ccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.56
DRD4 P21917 1/20 0.56
DRD2 P14416 2/20 0.46
HTR7 P34969 2/20 0.46
HTR6 P50406 2/20 0.46

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 SCHEMBL7993019 0.99 DRD4 (0.55) HTR2ADRD4
SCHEMBL7993630 0.87 HTR1A (0.58) HTR2ADRD2HTR7HTR6
Hydrochloric Acid SCHEMBL7979099 0.86 HTR1A (0.57) HTR2ADRD2HTR7HTR6
SCHEMBL7997143 0.83 HTR2A (0.80) HTR2ADRD4DRD2HTR7
Hydrochloric Acid SCHEMBL7996960 0.82 HTR2A (0.79) HTR2ADRD4DRD2HTR7
SCHEMBL9760169 0.76 HTR2A (0.52) HTR2ADRD4DRD2HTR7HTR6
SCHEMBL7990238 0.75 LMNA (0.58)
Hydrochloric Acid SCHEMBL7993287 0.74 LMNA (0.57)
SCHEMBL8307680 0.74 HTR2A (0.65) HTR2ADRD4DRD2HTR7HTR6
SCHEMBL7994117 0.74 DRD2 (0.47) HTR2ADRD2HTR7HTR6

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-4933453-A ANTIPSYCHOTIC, ANALGESIC, ANTICONVULSANT, AND ANXIOLYTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-12 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