SCHEMBL7993630

SCHEMBL7993630

CC1SC(C)(C)C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.58
DRD2 P14416 1/20 0.58
HTR2A P28223 1/20 0.58
HTR7 P34969 1/20 0.58
HTR6 P50406 1/20 0.58
LMNA P02545 1/20 0.58
CHRM2 P08172 1/20 0.58
ADRA2A P08913 1/20 0.58
CHRM1 P11229 1/20 0.58
DRD1 P21728 1/20 0.58
TBXA2R P21731 1/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
ADRA1A P35348 1/20 0.58
OPRM1 P35372 1/20 0.58
DRD3 P35462 1/20 0.58
SLC6A3 Q01959 1/20 0.58
KCNH2 Q12809 1/20 0.58

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 SCHEMBL7979099 0.99 HTR1A (0.57) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7990238 0.88 LMNA (0.58) HTR1ALMNACHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL7993287 0.87 LMNA (0.57) HTR1ALMNACHRM2ADRA2ACHRM1
SCHEMBL7979523 0.87 HTR2A (0.56) DRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL7993019 0.86 DRD4 (0.55) HTR2A
SCHEMBL9760169 0.84 HTR2A (0.52) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7990246 0.83 HTR1A (0.57) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7979510 0.81 HTR1A (0.61) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7996838 0.80
Hydrochloric Acid SCHEMBL7989887 0.79 HTR1A (0.59) HTR1ADRD2HTR2AHTR7HTR6

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