SCHEMBL7559274

SCHEMBL7559274

C=CCCC1CCC(c2ccc(-c3ccc(C#N)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.40
KCNH2 Q12809 1/20 0.40
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
ESR2 Q92731 2/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
EGLN2 Q96KS0 2/20 0.37
KIF11 P52732 2/20 0.35
P2RY14 Q15391 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
USP30 Q70CQ3 1/20 0.34
MMP3 P08254 1/20 0.34
HSD11B1 P28845 1/20 0.34
PAX8 Q06710 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL7559277 1.00 HRH3 (0.40) HRH3KCNH2HRH2HRH1ESR2
SCHEMBL6142023 0.96 HRH3 (0.38) HRH3KCNH2HRH2HRH1ESR2
SCHEMBL6455631 0.96 ESR2 (0.41) HRH3KCNH2HRH2HRH1ESR2
SCHEMBL6455639 0.96 ESR2 (0.41) HRH3KCNH2HRH2HRH1ESR2
SCHEMBL9458247 0.92 HRH3 (0.39) HRH3KCNH2HRH2HRH1ESR2
SCHEMBL9458241 0.92 HRH3 (0.39) HRH3KCNH2HRH2HRH1ESR2
SCHEMBL6141815 0.92 ESR2 (0.38) HRH3KCNH2HRH2HRH1ESR2
SCHEMBL6141780 0.90 ESR2 (0.37) HRH3KCNH2HRH2HRH1ESR2
SCHEMBL6142069 0.88 GRIA1 (0.36) HRH3KCNH2ESR2GRIA1GRIA2
SCHEMBL9344750 0.87 ESR2 (0.39) HRH3KCNH2HRH2HRH1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0844248-B1 Crosslinkable, photoactive silane derivatives ROLIC AG (CH) 2002-07-10 EP disclosed
US-5965761-A CROSSLINKABLE SILANE DERIVAATIVES HAVING A 3-ARYLACRYLIC ACID OR-ACRYLAMIDE GROUP FOR ORIENTING LAYER AND FOR NONSTRUCTURED AND STRUCTURED OPTICAL ELEMENTS AND MULTILAYER SYSTEMS; PHOTOSTABILITY; CONTRAST; RESOLUTION ROLIC AG (CH) 1999-10-12 US disclosed
EP-0844248-A2 Crosslinkable, photoactive silane derivatives Rolic AG (CH) 1998-05-27 EP disclosed
EP-0450025-B1 TEMPERATURE COMPENSATION OF LIQUID-CRYSTAL PARAMETERS HOFFMANN LA ROCHE (CH) 1995-01-18 EP disclosed
US-5309265-A Short pitch LC layer with a temperature independent λ0 and containing a nematic LC doped with plural chiral additives having the same twist sense HOFFMANN-LA ROCHE INC. (US) 1994-05-03 US disclosed
US-5238602-A Electrooptical cells HOFFMANN LA ROCHE INC. (US) 1993-08-24 US disclosed
EP-0450025-A1 TEMPERATURE COMPENSATION OF LIQUID-CRYSTAL PARAMETERS. HOFFMANN LA ROCHE (CH) 1991-10-09 EP disclosed
WO-1991006613-A1 TEMPERATURE COMPENSATION OF LIQUID-CRYSTAL PARAMETERS F.HOFFMANN-LA ROCHE AG (CH) 1991-05-16 WO disclosed
EP-0168683-B1 LIQUID CRYSTALS WITH ALKENYL OR ALKENYLOXY GROUPS F. HOFFMANN-LA ROCHE AG (CH) 1990-11-28 EP disclosed
US-4915480-A Liquid crystalline compounds and mixtures MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-04-10 US disclosed
EP-0167912-B1 LIQUID CRYSTAL MIXTURES CONTAINING COMPOUNDS WITH A 4-ALKENYL OR 2Z-ALKENYL LATERAL CHAIN F. HOFFMANN-LA ROCHE AG (CH) 1990-01-03 EP disclosed
EP-0261614-A2 Liquid crystal display cell F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-03-30 EP disclosed
EP-0169327-B1 PHENYLISOTHIOCYANATES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-01-13 EP disclosed
EP-0169327-A2 Phenylisothiocyanates F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-01-29 EP disclosed
EP-0168683-A2 Liquid crystals with alkenyl or alkenyloxy groups F. HOFFMANN-LA ROCHE AG (CH) 1986-01-22 EP disclosed