SCHEMBL7993322

SCHEMBL7993322

CC(CO)C1SCN(CCCCN2CCN(c3nsc4cc(Cl)ccc34)CC2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.43
HTR7 P34969 3/20 0.43
HTR6 P50406 3/20 0.43
DRD2 P14416 2/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL7994154 0.88 HTR1A (0.56) HTR2AHTR7HTR6DRD2LMNA
SCHEMBL10474213 0.74 HTR2A (0.55) HTR2ADRD2HTR1AADRA1A
SCHEMBL7994117 0.72 DRD2 (0.47) HTR2AHTR7HTR6DRD2
SCHEMBL7990198 0.72 HTR1A (0.63) HTR2AHTR7HTR6DRD2LMNA
Hydrochloric Acid SCHEMBL7991335 0.72
SCHEMBL7979523 0.71 HTR2A (0.56) HTR2AHTR7HTR6DRD2
Hydrochloric Acid SCHEMBL7993019 0.71 DRD4 (0.55) HTR2A
SCHEMBL7997114 0.70 HTR1A (0.60) HTR2AHTR7HTR6DRD2LMNA
Maleic Acid SCHEMBL7997142 0.70 HTR2A (0.50) HTR2ADRD2HTR1AADRA1A
SCHEMBL9672339 0.69 HTR1A (0.61) HTR2AHTR7HTR6DRD2LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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