SCHEMBL8747225

SCHEMBL8747225

CCCC1CCC(C2CCC(CCC=Cc3ccc(C#N)c(F)c3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.32
TRPV4 Q9HBA0 2/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL8745308 0.93 AR (0.32) ARTRPV4CYP11B1CYP11B2DRD2
SCHEMBL8747211 0.92 MAPT (0.31) ARTRPV4CYP11B1CYP11B2DRD2
SCHEMBL8745169 0.86 NFE2L2 (0.39)
SCHEMBL8745628 0.81 NFE2L2 (0.41)
SCHEMBL8745226 0.81 MAOB (0.39) DRD2DRD3
SCHEMBL8745214 0.80 TLR4 (0.32)
SCHEMBL8745626 0.79 TRPA1 (0.35) DRD2DRD3
SCHEMBL8745389 0.79 EPHX2 (0.35)
SCHEMBL8745224 0.78 NFE2L2 (0.39)
SCHEMBL8745176 0.78 NFE2L2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563981-B1 Cis-1,4-substituted 2-butene derivative CHISSO CORP (JP) 1997-01-22 EP disclosed
EP-0563981-A2 Cis-1,4-substituted 2-butene derivative Chisso Corporation (JP) 1993-10-06 EP disclosed