SCHEMBL8452002

SCHEMBL8452002

CCCc1ccc(CC[C@H]2CC[C@H](CCc3ccc(CCc4cc(F)c(Cl)c(F)c4)c(F)c3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
MAOA P21397 1/20 0.40
HTR2A P28223 6/20 0.35
HTR2C P28335 6/20 0.35
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PDK2 Q15119 1/20 0.32
KCNH2 Q12809 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
SCHEMBL8452008 1.00 MAOB (0.40) MAOBMAOAHTR2AHTR2CSLC6A2
SCHEMBL8451701 0.93 MAOA (0.36) MAOBMAOAHTR2AHTR2C
SCHEMBL8451696 0.93 MAOA (0.36) MAOBMAOAHTR2AHTR2C
SCHEMBL8451562 0.93 S1PR1 (0.36) MAOBMAOAHTR2AHTR2C
SCHEMBL8451558 0.93 S1PR1 (0.36) MAOBMAOAHTR2AHTR2C
SCHEMBL8452059 0.93 HTR2A (0.35) MAOBMAOAHTR2AHTR2CSLC6A2
SCHEMBL8452057 0.93 HTR2A (0.35) MAOBMAOAHTR2AHTR2CSLC6A2
SCHEMBL8452391 0.92 MAOB (0.45) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL8452396 0.92 MAOB (0.45) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL8450997 0.92 S1PR1 (0.40) HTR2AHTR2C

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
US-5858275-A Chlorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0785179-A1 CHLOROBENZENE DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1997-07-23 EP disclosed