SCHEMBL9067382

SCHEMBL9067382

CCCCC[C@H]1CC[C@H](c2cc(F)c(OCC3CC=C(F)CC3)c(F)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL9067385 1.00 SCN9A (0.32) SCN9AMEN1KMT2A
SCHEMBL9067647 0.92 CYP2C9 (0.34) SCN9AMEN1KMT2A
SCHEMBL9067651 0.92 CYP2C9 (0.34) SCN9AMEN1KMT2A
SCHEMBL9067146 0.83 SCN9A (0.30) SCN9A
SCHEMBL9067152 0.83 SCN9A (0.30) SCN9A
SCHEMBL8650609 0.82 MEN1 (0.31) MEN1KMT2A
SCHEMBL8650606 0.82 MEN1 (0.31) MEN1KMT2A
SCHEMBL10899077 0.81 MEN1 (0.36) SCN9AMEN1KMT2A
SCHEMBL10894261 0.81 MEN1 (0.36) SCN9AMEN1KMT2A
SCHEMBL10893234 0.81 MEN1 (0.36) MEN1KMT2A

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-0736513-A1 1-Fluorcyclohexene-difluorphenyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 1996-10-09 EP disclosed