SCHEMBL7997143

SCHEMBL7997143

CC1SC(C)(C)C(=O)N1CCCCN1CCN(c2csc3cc(Cl)ccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.80
DRD4 P21917 2/20 0.80
MAPT P10636 1/20 0.45
DRD2 P14416 2/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.40

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 SCHEMBL7996960 0.99 HTR2A (0.79) HTR2ADRD4MAPTDRD2HTR1A
SCHEMBL7679404 0.89 DRD4 (1.00) HTR2ADRD4MAPT
SCHEMBL9298366 0.88 HTR2A (0.81) HTR2ADRD4MAPTDRD2HTR1A
Hydrochloric Acid SCHEMBL7990183 0.88 HTR2A (0.80) HTR2ADRD4MAPTDRD2HTR1A
SCHEMBL7979523 0.83 HTR2A (0.56) HTR2ADRD4DRD2HTR7
Hydrochloric Acid SCHEMBL7993019 0.82 DRD4 (0.55) HTR2ADRD4
SCHEMBL9597561 0.81 HTR2A (0.69) HTR2ADRD4DRD2HTR1A
SCHEMBL9411187 0.78 HTR2A (0.64) HTR2ADRD4DRD2HTR1A
Hydrochloric Acid SCHEMBL9411098 0.77 HTR2A (0.63) HTR2ADRD4DRD2
Hydrochloric Acid SCHEMBL9666450 0.76 HTR2A (0.49) HTR2ADRD4MAPTDRD2HTR1A

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 8 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-5801186-A ANTIPSYCHOTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1998-09-01 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