SCHEMBL8963016

SCHEMBL8963016

Cl/C=C/[C@H]1CC[C@H](CCc2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
FAAH O00519 1/20 0.39
TAAR1 Q96RJ0 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KMT2A Q03164 1/20 0.34
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL8963011 1.00 MAOB (0.48) MAOBFAAHTAAR1L3MBTL1HDAC1
SCHEMBL8963369 0.95 MAOB (0.45) MAOBFAAHTAAR1L3MBTL1HDAC1
SCHEMBL8963373 0.95 MAOB (0.45) MAOBFAAHTAAR1L3MBTL1HDAC1
SCHEMBL8963156 0.86 TAAR1 (0.35) MAOBTAAR1GPR84
SCHEMBL8962950 0.86 MAOB (0.47) MAOBTAAR1
SCHEMBL8962964 0.86 MAOB (0.47) MAOBTAAR1
SCHEMBL8963164 0.86 TAAR1 (0.35) MAOBTAAR1GPR84
SCHEMBL9262398 0.82 MAOB (0.44) MAOBFAAHTAAR1L3MBTL1HDAC1
SCHEMBL8963043 0.82 MAOB (0.44) MAOBGPR84
SCHEMBL8517425 0.82 MAOB (0.44) MAOBFAAHTAAR1L3MBTL1GPR84

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-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
WO-1993007234-A1 HALOVINYL-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-04-15 WO disclosed