SCHEMBL7751867

SCHEMBL7751867

C=CC[C@H]1CC[C@H](c2ccc(C#N)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
USP30 Q70CQ3 1/20 0.38
ESR2 Q92731 7/20 0.38
ESR1 P03372 6/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
EGLN2 Q96KS0 1/20 0.35
KCNH2 Q12809 1/20 0.35
HSD11B1 P28845 1/20 0.34
PANK3 Q9H999 1/20 0.34
CYP2D6 P10635 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
KDM1A O60341 1/20 0.33

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
SCHEMBL2352622 1.00 GRIA1 (0.41) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL9349666 0.95 GRIA1 (0.39) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL9511984 0.95 GRIA1 (0.39) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL10832109 0.95 ESR2 (0.40) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL9349673 0.95 GRIA1 (0.39) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL10832104 0.95 ESR2 (0.40) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL9798346 0.95 HRH3 (0.41) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL10779619 0.95 GRIA1 (0.39) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL10832113 0.95 ESR2 (0.40) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL9798359 0.95 HRH3 (0.41) 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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0258349-B1 ELECTRO-OPTICAL DISPLAY ELEMENT MERCK PATENT GmbH (DE) 1990-05-23 EP claimed
US-4387039-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1983-06-07 US claimed
JP-58034886-A None JP disclosed
EP-0786509-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2001-09-12 EP disclosed
EP-0786508-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2001-01-17 EP disclosed
EP-0731155-B1 A liquid crystal composition and a liquid crystal display element CHISSO CORP (JP) 1999-08-18 EP disclosed
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
US-5792386-A A MIXTURE OF ALKYLCYCLOHEXYL(PHENYLENE)DIFLUROMETHOXY-BENZENES AND FLUORO-CONTAINING COMPOUNDS; LOW VISCOSITY; LOW TEMPERATURE MISCIBILITY; HEAT AND CHEMICAL RESISTANCE; ACTIVE MATRIX CHISSO CORPORATION (JP) 1998-08-11 US disclosed
US-5728319-A Liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 1998-03-17 US 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-0103681-A1 Tetra- and pentacyclic monoesters F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-03-28 EP disclosed
US-4439015-A Disubstituted ethanes HOFFMANN-LA ROCHE INC. (US) 1984-03-27 US disclosed
US-4432885-A Decalins HOFFMANN-LA ROCHE INC. (US) 1984-02-21 US disclosed
US-4387039-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1983-06-07 US disclosed
JP-S5834886-A LIQUID CRYSTAL COMPOSITION SHARP CORP 1983-03-01 JP disclosed
EP-0063713-A1 Dichroic anthraquinone dyes, liquid crystal dielectrics containing them and electro-optical display MERCK PATENT GmbH (DE) 1982-11-03 EP disclosed
US-4229367-A Preparation of trans-4-alkyl-cyanoarylcyclohexanes SIEGFRIED AKTIENGESELLSCHAFT (CH) 1980-10-21 US disclosed
US-4211666-A ALKYLCYCLOHEXENES WITH A CYANOPHENYL OR CYANOBIPHENYL GROUP CHISSO CORPORATION (JP) 1980-07-08 US disclosed
EP-0005793-A1 Process for the preparation of trans-4-alkyl-cyanoarylcyclohexanes SIEGFRIED AKTIENGESELLSCHAFT (CH) 1979-12-12 EP disclosed