SCHEMBL8600765

SCHEMBL8600765

COc1ccc2cc(C3(O)CCCCCC3)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
CHRNA7 P36544 3/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
BCHE P06276 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
LMNA P02545 1/20 0.37
CNR1 P21554 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL8596068 1.00 CA2 (0.43) CA2CHRNA7MAOAMAOBSIGMAR1
SCHEMBL4444185 1.00 CA2 (0.43) CA2CHRNA7MAOAMAOBSIGMAR1
SCHEMBL8600809 0.99 CA2 (0.44) CA2CHRNA7MAOAMAOBSIGMAR1
SCHEMBL8626160 0.85 MAPT (0.43) CA2CHRNA7NPC1MAPTRAB9A
SCHEMBL8599290 0.85 CHRNA7 (0.42) CA2CHRNA7MAOAMAOBNPC1
SCHEMBL8598275 0.83 CHRNA7 (0.39) CA2CHRNA7MAOAMAOBNPC1
SCHEMBL8598239 0.83 CA2 (0.39) CA2CHRNA7NPC1MAPTRAB9A
SCHEMBL8597630 0.79 MAPT (0.45) CA2CHRNA7MAOAMAOBNPC1
SCHEMBL6311972 0.76 ALDH1A1 (0.46) CHRNA7MAPT
SCHEMBL10686711 0.72 OPRD1 (0.49) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641791-B1 NOVEL BENZOTHIOPHENE DERIVATIVE TEIKOKU HORMONE MFG CO LTD (JP) 1998-01-28 EP disclosed
US-5472962-A Antiestrogenic agents TEIKOKU HORMONE MFG. CO., LTD. (JP) 1995-12-05 US disclosed
EP-0641791-A1 NOVEL BENZOTHIOPHENE DERIVATIVE TEIKOKU HORMONE MFG. CO., LTD. (JP) 1995-03-08 EP disclosed