SCHEMBL6962035

SCHEMBL6962035

CC(C)c1c(Sc2cc(Cl)cc(Cl)c2)nc(COCC=O)n1C

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
HSP90B1 P14625 1/20 0.30
TRAP1 Q12931 1/20 0.30

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
SCHEMBL6969885 0.83
SCHEMBL6969249 0.82 DRD2 (0.30) DRD2HTR2AHTR7HTR6HSP90AA1
SCHEMBL6969693 0.81 VCP (0.38)
SCHEMBL6961640 0.81 MAPT (0.31)
SCHEMBL8109935 0.81 HSP90B1 (0.32) DRD2HTR2AHTR7HTR6HSP90AA1
SCHEMBL6974005 0.80
SCHEMBL7082337 0.80 LMNA (0.36) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL6974384 0.78 HSP90B1 (0.34) DRD2HTR2AHTR7HTR6HSP90AA1
SCHEMBL6958048 0.78 HSP90B1 (0.33) DRD2HTR2AHTR7HTR6HSP90AA1
SCHEMBL6974006 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-5910506-A IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC SHIONOGI & CO., LTD. (JP) 1999-06-08 US disclosed