SCHEMBL9630559

SCHEMBL9630559

CCCc1ccc(-c2ccc(CC[C@H]3CC[C@H](CCC)CC3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
CHKA P35790 1/20 0.38
MPL P40238 3/20 0.34
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
RARB P10826 1/20 0.31
ALOX5 P09917 1/20 0.31
KDM1A O60341 1/20 0.30

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
SCHEMBL9630563 1.00 MAOB (0.39) MAOBMAOACHKAMPLCTSL
SCHEMBL9631605 0.94 MAOB (0.38) MAOBMAOACHKAMPLCTSL
SCHEMBL9631599 0.94 MAOB (0.38) MAOBMAOACHKAMPLCTSL
SCHEMBL9631476 0.92 MAOA (0.37) MAOBMAOACHKAMPLCTSL
SCHEMBL9631472 0.92 MAOA (0.37) MAOBMAOACHKAMPLCTSL
SCHEMBL9630263 0.92 CHKA (0.38) MAOBMAOACHKACTSLCTSS
SCHEMBL9630259 0.92 CHKA (0.38) MAOBMAOACHKACTSLCTSS
SCHEMBL9630249 0.91 MAOA (0.36) MAOBMAOACHKAMPLCTSL
SCHEMBL22277556 0.91 MAOB (0.36) MAOBMAOACHKAMPLCTSL
SCHEMBL9630252 0.91 MAOA (0.36) MAOBMAOACHKAMPLCTSL

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
EP-0364538-B1 DIFLUOROBENZOL DERIVATIVES MERCK PATENT GmbH (DE) 1992-05-06 EP disclosed