SCHEMBL8449168

SCHEMBL8449168

N#Cc1ccc([C@H]2CC[C@H](C/C=C/CCCF)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.39
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
USP30 Q70CQ3 1/20 0.33
HSD11B1 P28845 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
ESR2 Q92731 2/20 0.32
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
KCNH2 Q12809 2/20 0.32
KDM1A O60341 1/20 0.32
TBXA2R P21731 2/20 0.31
EGLN2 Q96KS0 1/20 0.31
PANK3 Q9H999 1/20 0.31
TBXAS1 P24557 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
SCHEMBL8449172 1.00 SIGMAR1 (0.39) SIGMAR1GRIA1GRIA2GRIA3USP30
SCHEMBL8449179 1.00 SIGMAR1 (0.39) SIGMAR1GRIA1GRIA2GRIA3USP30
SCHEMBL8449183 1.00 SIGMAR1 (0.39) SIGMAR1GRIA1GRIA2GRIA3USP30
SCHEMBL8453236 0.96 HRH3 (0.37) SIGMAR1GRIA1GRIA2GRIA3USP30
SCHEMBL8453238 0.96 HRH3 (0.37) SIGMAR1GRIA1GRIA2GRIA3USP30
SCHEMBL8453233 0.96 HRH3 (0.37) SIGMAR1GRIA1GRIA2GRIA3USP30
SCHEMBL8453229 0.96 HRH3 (0.37) SIGMAR1GRIA1GRIA2GRIA3USP30
SCHEMBL8456540 0.93 SIGMAR1 (0.36) SIGMAR1GRIA1GRIA2GRIA3USP30
SCHEMBL8456530 0.93 SIGMAR1 (0.36) SIGMAR1GRIA1GRIA2GRIA3USP30
SCHEMBL8456527 0.93 SIGMAR1 (0.36) SIGMAR1GRIA1GRIA2GRIA3USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed