SCHEMBL9514237

SCHEMBL9514237

CC[C@H]1CC[C@H]([C@H]2CC[C@H](C=Cc3ccc(OCC(F)(F)C(F)(F)C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.34
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
RELA Q04206 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
SCHEMBL9511801 0.93 MAOB (0.35) MAOBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9514468 0.92 MAOB (0.33) MAOBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9513707 0.90 MAOB (0.32) MAOB
SCHEMBL9513347 0.89 MAOB (0.32) MAOB
SCHEMBL9513281 0.89 MAOB (0.31) MAOB
SCHEMBL9514453 0.89 MAOB (0.31) MAOB
SCHEMBL9514524 0.89 MAOB (0.31) MAOB
SCHEMBL9511726 0.89 MAOB (0.36) MAOBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9513173 0.85 MAOB (0.34) MAOBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9511565 0.83 MAOB (0.33) MAOBCHRNB2CHRNB4CHRNA3CHRNA7

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-0387315-B1 FLUORINATED ALKOXYL COMPOUNDS MERCK PATENT GMBH (DE) 1993-12-08 EP disclosed