SCHEMBL9701190

SCHEMBL9701190

CC(C)=CCN1Cc2cccc(N)c2NCC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.33

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
SCHEMBL9701085 0.77 KEAP1 (0.33)
SCHEMBL9701097 0.70 SIGMAR1 (0.34) SIGMAR1
SCHEMBL9702700 0.68 SIGMAR1 (0.33) SIGMAR1
SCHEMBL7896255 0.68 SIGMAR1 (0.36) SIGMAR1
SCHEMBL9702149 0.66 ALDH1A1 (0.33)
SCHEMBL9701174 0.66 SLC6A2 (0.36)
SCHEMBL9701435 0.64 ALDH1A1 (0.31)
SCHEMBL9701099 0.64 PTAFR (0.34)
SCHEMBL7904422 0.62 PRCP (0.36) SIGMAR1
SCHEMBL7904425 0.62 PRCP (0.36) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992013860-A1 NEW 4,5,6,7-TETRAHYDRO-IMIDAZO-[4,5,lJK][1,4]-BENZODIAZEPINE-2-(1H)-THIONES, A METHOD OF PREPARING THEM AS WELL AS DRUGS CONTAINING THEM, AND INTERMEDIATES FOR THE PREPARATION OF THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1992-08-20 WO disclosed