SCHEMBL8448019

SCHEMBL8448019

N#Cc1ccc(C2CCC(C/C=C/CF)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
USP30 Q70CQ3 1/20 0.36
HSD11B1 P28845 1/20 0.35
ESR2 Q92731 4/20 0.35
ESR1 P03372 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
HRH3 Q9Y5N1 2/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
SIGMAR1 Q99720 5/20 0.34
EGLN2 Q96KS0 1/20 0.33
KCNH2 Q12809 1/20 0.33
PANK3 Q9H999 1/20 0.33
CYP2D6 P10635 1/20 0.32

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
SCHEMBL8452719 0.96 GRIA1 (0.37) GRIA1GRIA2GRIA3USP30HSD11B1
SCHEMBL8447919 0.96 ESR2 (0.37) GRIA1GRIA2GRIA3USP30HSD11B1
SCHEMBL8447998 0.96 HRH3 (0.40) GRIA1GRIA2GRIA3USP30HSD11B1
SCHEMBL9477022 0.87 GRIA1 (0.40) GRIA1GRIA2GRIA3USP30HSD11B1
SCHEMBL9477043 0.87 GRIA1 (0.40) GRIA1GRIA2GRIA3USP30HSD11B1
SCHEMBL9477037 0.87 GRIA1 (0.40) GRIA1GRIA2GRIA3USP30HSD11B1
SCHEMBL9477031 0.87 GRIA1 (0.40) GRIA1GRIA2GRIA3USP30HSD11B1
SCHEMBL8449172 0.86 SIGMAR1 (0.39) GRIA1GRIA2GRIA3USP30HSD11B1
SCHEMBL8449168 0.86 SIGMAR1 (0.39) GRIA1GRIA2GRIA3USP30HSD11B1
SCHEMBL8449183 0.86 SIGMAR1 (0.39) GRIA1GRIA2GRIA3USP30HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8012605-A None JP disclosed
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed
JP-H0812605-A LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORP 1996-01-16 JP disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed