SCHEMBL9700201

SCHEMBL9700201

COc1ccc(C2CNc3c(N)cccc3CN2CCC(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PARP1 P09874 1/20 0.32
SLC6A4 P31645 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
OPRK1 P41145 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
PAX8 Q06710 1/20 0.31
POLB P06746 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
BTK Q06187 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
GID4 Q8IVV7 1/20 0.31

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
SCHEMBL9702147 0.73 CA1 (0.36) LMNATSHRSMN1; SMN2PAX8POLB
SCHEMBL9701390 0.71 PAX8 (0.34) OPRK1PAX8KDM4E
SCHEMBL9701099 0.69 PTAFR (0.34) TSHRL3MBTL1POLB
SCHEMBL7902262 0.69 HTR1A (0.39)
SCHEMBL9701174 0.65 SLC6A2 (0.36) SLC6A4SLC6A2SLC6A3
SCHEMBL11932485 0.60 MEN1 (0.46) LMNATSHRL3MBTL1SLC6A4HRH3
SCHEMBL8782336 0.59 TAS2R14 (0.52) DRD1TSHRMAPK1GID4
SCHEMBL11717542 0.58 HDAC1 (0.52) DRD1SLC6A4SLC6A2SLC6A3GID4
SCHEMBL11130430 0.58 ALDH1A1 (0.41) GAAL3MBTL1KDM4EMAPK1
SCHEMBL7797306 0.58 MEN1 (0.36) LMNATSHRGAAKDM4E

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