SCHEMBL9631599

SCHEMBL9631599

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
CHKA P35790 1/20 0.37
MPL P40238 2/20 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
RORC P51449 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
RARB P10826 1/20 0.30
ALOX5 P09917 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
SCHEMBL9631605 1.00 MAOB (0.38) MAOBMAOACHKAMPLCTSL
SCHEMBL9630563 0.94 MAOB (0.39) MAOBMAOACHKAMPLCTSL
SCHEMBL9630559 0.94 MAOB (0.39) MAOBMAOACHKAMPLCTSL
SCHEMBL9632384 0.91 RARB (0.40) CHKAMPLRARB
SCHEMBL9632388 0.91 RARB (0.40) CHKAMPLRARB
SCHEMBL9631476 0.91 MAOA (0.37) MAOBMAOACHKAMPLCTSL
SCHEMBL9631472 0.91 MAOA (0.37) MAOBMAOACHKAMPLCTSL
SCHEMBL9630321 0.91 CHKA (0.38) CHKARORC
SCHEMBL9630317 0.91 CHKA (0.38) CHKARORC
SCHEMBL9632010 0.90 RARB (0.42) RARB

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