SCHEMBL7922659

SCHEMBL7922659

CCCCCCCCC1CCc2c(cc(F)c(-c3ccc(OCCCCCC)nc3)c2F)C1(F)F

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 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
SCHEMBL7930592 0.87 LTA4H (0.35)
SCHEMBL8458574 0.80 THRA (0.38) CYP3A4CYP2D6
SCHEMBL7795030 0.80 CYP3A4 (0.34) CYP3A4CYP2D6
SCHEMBL5722723 0.79 LTA4H (0.35)
SCHEMBL5722637 0.72 DRD2 (0.33)
SCHEMBL5722657 0.72 CYP3A4 (0.32) CYP3A4CYP2D6
SCHEMBL7930742 0.71 DRD2 (0.31)
SCHEMBL27262426 0.71 CYP3A4 (0.39) CYP3A4CYP2D6
SCHEMBL5722639 0.67
SCHEMBL7561859 0.67 CNR2 (0.36) CYP3A4CYP2D6

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-0944690-B1 1,1,5,7-TETRAFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES AVENTIS RES & TECH GMBH & CO (DE) 2001-11-28 EP disclosed
EP-0944690-A1 1,1,5,7-TETRAFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES Aventis Research & Technologies GmbH & Co KG (DE) 1999-09-29 EP disclosed
WO-1998027179-A1 1,1,5,7-TETRAFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-25 WO disclosed