SCHEMBL8963262

SCHEMBL8963262

Fc1cc(CC[C@H]2CC[C@H](/C=C/Cl)CC2)ccc1Br

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.32
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KDM1A O60341 2/20 0.31
KCNH2 Q12809 2/20 0.31
KDM1B Q8NB78 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
SCHEMBL8963255 1.00 EP300 (0.32) EP300MAOBMAOASLC6A2SLC6A4
SCHEMBL9540834 0.94 GRM2 (0.32) KCNH2
SCHEMBL9450833 0.91 CNR1 (0.32)
SCHEMBL8962798 0.88 CNR1 (0.36) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL8962799 0.88 CNR1 (0.36) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL8963053 0.85 KCNH2 (0.33) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL8963047 0.85 KCNH2 (0.33) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL8963028 0.82 HTR2A (0.34) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL8963292 0.82 PROKR1 (0.33) MAOBMAOAKCNH2
SCHEMBL9300289 0.82 HTR2A (0.34) MAOBMAOASLC6A2SLC6A4SLC6A3

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-0559860-B1 HALOVINYL-DERIVATIVES HOFFMANN LA ROCHE (CH) 1996-02-14 EP disclosed
US-5364556-A Halovinyl-derivatives HOFFMANN-LA ROCHE INC. (US) 1994-11-15 US disclosed