SCHEMBL9067647

SCHEMBL9067647

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
SCN9A Q15858 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9067651 1.00 CYP2C9 (0.34) CYP2C9SCN9AALDH1A1LMNAMAPT
SCHEMBL9067385 0.92 SCN9A (0.32) SCN9AMEN1KMT2A
SCHEMBL9067382 0.92 SCN9A (0.32) SCN9AMEN1KMT2A
SCHEMBL9067146 0.85 SCN9A (0.30) SCN9A
SCHEMBL9067152 0.85 SCN9A (0.30) SCN9A
SCHEMBL9067622 0.82 SCN9A (0.31) SCN9A
SCHEMBL9067616 0.82 SCN9A (0.31) SCN9A
SCHEMBL9067358 0.81 SCN9A (0.31) SCN9A
SCHEMBL9067363 0.81 SCN9A (0.31) SCN9A
SCHEMBL8648095 0.81 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1

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