SCHEMBL6665201

SCHEMBL6665201

C/C=C/C1CCC(c2ccc(C(F)(F)OC(C)c3ccc(C#N)cc3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
HTR2C P28335 1/20 0.30
TACR1 P25103 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
SCHEMBL6665072 0.91 HTR2C (0.33) HTR2CTACR1
SCHEMBL6662560 0.88 HSD11B1 (0.38) HSD11B1GRIA1GRIA2GRIA3HTR2C
SCHEMBL6664367 0.88 HTR2C (0.39) HTR2CTACR1
SCHEMBL6662817 0.87 ESR2 (0.35) HTR2CTACR1
SCHEMBL6666587 0.86
SCHEMBL6663937 0.86
SCHEMBL6667527 0.85 CYP11B1 (0.32)
SCHEMBL6664892 0.85 TACR1 (0.31) TACR1
SCHEMBL6665438 0.84 PDE2A (0.33) HSD11B1
SCHEMBL6666351 0.84 ALDH1A1 (0.31)

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-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed