SCHEMBL8736295

SCHEMBL8736295

O=C[C@H]1CC[C@H](c2cc(F)c(C(F)(F)F)c(F)c2)CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
NOTUM Q6P988 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
SCHEMBL8452903 1.00 PDE2A (0.32) PDE2AHTR2AHTR2CHTR2BNOTUM
SCHEMBL8451372 0.85 KDM1A (0.33) PDE2ANOTUM
SCHEMBL13002301 0.85 KDM1A (0.33) PDE2ANOTUM
SCHEMBL8736458 0.82 CES2 (0.30)
SCHEMBL7859003 0.82 CES2 (0.30)
SCHEMBL13002679 0.81 KDM1A (0.30)
SCHEMBL8446783 0.81 KDM1A (0.30)
SCHEMBL13002307 0.81 PDE2A (0.31) PDE2A
SCHEMBL9260081 0.81 PDE2A (0.31) PDE2A
SCHEMBL8835644 0.80

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0688754-B1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORP (JP) 1998-10-07 EP disclosed
US-5641432-A USEFUL IN LIQUID CRYSTAL COMPOSITIONS; WIDE LIQUID CRYSTAL PHASE TEMPERATURE RANGE, LOW VISCOSITY, HIGH STABILITY; COMPATIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS CHISSO CORPORATION (JP) 1997-06-24 US disclosed
EP-0688754-A1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORPORATION (JP) 1995-12-27 EP disclosed