SCHEMBL9511984

SCHEMBL9511984

C=CCC1CCC(C2CCC(c3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

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
ESR2 Q92731 7/20 0.35
ESR1 P03372 6/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
EGLN2 Q96KS0 1/20 0.33
KCNH2 Q12809 1/20 0.33
HSD11B1 P28845 1/20 0.33
PANK3 Q9H999 1/20 0.33
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
CYP2D6 P10635 1/20 0.32
KDM1A O60341 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
SCHEMBL9349673 1.00 GRIA1 (0.39) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL10779619 1.00 GRIA1 (0.39) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL9349666 1.00 GRIA1 (0.39) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL11084144 0.96 HRH3 (0.39) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL11084141 0.96 HRH3 (0.39) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL2352622 0.95 GRIA1 (0.41) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL7751867 0.95 GRIA1 (0.41) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL10832104 0.91 ESR2 (0.40) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL9798346 0.91 HRH3 (0.41) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL10832113 0.91 ESR2 (0.40) GRIA1GRIA2GRIA3USP30ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0318003-B1 A liquid crystal composition for twist nematic mode CHISSO CORP (JP) 1993-10-20 EP disclosed
US-5021189-A Supertwisted birefringence display CHISSO CORPORATION (JP) 1991-06-04 US disclosed
US-4923632-A LOW THRESHOLD-VOLTAGE AND TEMPERATURE DEPENDENCY; CYCLOHEXYL-AND FLUORO-SUBSTITUTED BENZENE CHISSO CORPORATION (JP) 1990-05-08 US disclosed
US-4701547-A POSITIVE DIELECTRIC ANISOTROPHY CHISSO CORPORATION (JP) 1987-10-20 US disclosed
EP-0090671-B1 CARBOCYLIC ESTERS HAVING LIQUID-CRYSTAL PROPERTIES AT HIGH TEMPERATURES Chisso Corporation (JP) 1985-06-19 EP disclosed
US-4502974-A SUBSTITUTED WITH HALOGEN OR NITRILE CHISSO CORPORATION (JP) 1985-03-05 US disclosed
EP-0090671-A1 Carbocylic esters having liquid-crystal properties at high temperatures Chisso Corporation (JP) 1983-10-05 EP disclosed