SCHEMBL7122292

SCHEMBL7122292

CCCCCc1ccc2c(c1)CCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.46
MLNR O43193 1/20 0.46
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
DRD2 P14416 1/20 0.44
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SHBG P04278 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
HSPD1 P10809 1/20 0.44
ADRB3 P13945 1/20 0.44

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
SCHEMBL15312357 0.98 S1PR1 (0.48) S1PR1MLNRSLC6A2SLC6A4HTR2A
SCHEMBL28830783 0.98 S1PR1 (0.47) S1PR1MLNRSLC6A2SLC6A4HTR2A
SCHEMBL8776566 0.96 S1PR1 (0.49) S1PR1MLNRSLC6A2SLC6A4HTR2A
SCHEMBL9747402 0.96 S1PR1 (0.49) S1PR1MLNRSLC6A2SLC6A4HTR2A
SCHEMBL23472586 0.94 MLNR (0.50) S1PR1MLNRHTR2AHTR2CDRD2
SCHEMBL9746555 0.92 MLNR (0.51) S1PR1MLNRHTR2AHTR2CDRD2
SCHEMBL19996369 0.91 SLC6A2 (0.50) S1PR1MLNRSLC6A2SLC6A4HTR2A
SCHEMBL17870920 0.87 S1PR1 (0.43) S1PR1MLNRSLC6A2SLC6A4HTR2A
SCHEMBL19158886 0.86 NPC1 (0.45) MLNRHTR2CDRD2ADRA2AALDH1A1
SCHEMBL20382803 0.86 KCNH2 (0.46) DRD2KDM4ECYP3A4HIF1AHSD17B10

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-1027403-B1 5-ARYLINDANE DERIVATIVES AND FERROELECTRIC LIQUID CRYSTAL MIXTURE CONTAINING SAME AVENTIS RES & TECH GMBH & CO (DE) 2003-05-28 EP claimed
US-6485797-B1 5-Arylindane derivatives and ferroelectric liquid crystal mixture containing same AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2002-11-26 US claimed
JP-2001520256-A 2001-10-30 JP claimed
EP-1027403-A2 5-ARYLINDANE DERIVATIVES AND FERROELECTRIC LIQUID CRYSTAL MIXTURE CONTAINING SAME Aventis Research & Technologies GmbH & Co. KG (DE) 2000-08-16 EP claimed
EP-0915145-A1 Ferroelectric liquid crystal mixture Aventis Research & Technologies GmbH & Co. KG (DE) 1999-05-12 EP claimed
WO-1999019420-A2 5-ARYLINDANE DERIVATIVES AND FERROELECTRIC LIQUID CRYSTAL MIXTURE CONTAINING SAME AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-04-22 WO claimed
EP-1027403-B1 5-ARYLINDANE DERIVATIVES AND FERROELECTRIC LIQUID CRYSTAL MIXTURE CONTAINING SAME AVENTIS RES & TECH GMBH & CO (DE) 2003-05-28 EP disclosed
EP-1027403-B1 5-ARYLINDANE DERIVATIVES AND FERROELECTRIC LIQUID CRYSTAL MIXTURE CONTAINING SAME AVENTIS RES & TECH GMBH & CO (DE) 2003-05-28 EP disclosed
US-6485797-B1 5-Arylindane derivatives and ferroelectric liquid crystal mixture containing same AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2002-11-26 US disclosed
WO-1999019420-A8 5-ARYLINDANE DERIVATIVES AND FERROELECTRIC LIQUID CRYSTAL MIXTURE CONTAINING SAME AVENTIS RES & TECH GMBH & CO (DE) 2002-07-25 WO disclosed
EP-1027403-A2 5-ARYLINDANE DERIVATIVES AND FERROELECTRIC LIQUID CRYSTAL MIXTURE CONTAINING SAME Aventis Research & Technologies GmbH & Co. KG (DE) 2000-08-16 EP disclosed
EP-1027403-A2 5-ARYLINDANE DERIVATIVES AND FERROELECTRIC LIQUID CRYSTAL MIXTURE CONTAINING SAME Aventis Research & Technologies GmbH & Co. KG (DE) 2000-08-16 EP disclosed
WO-1999019420-A3 5-ARYLINDANE DERIVATIVES AND FERROELECTRIC LIQUID CRYSTAL MIXTURE CONTAINING SAME AVENTIS RES & TECH GMBH & CO (DE) 1999-06-24 WO disclosed
WO-1999019420-A2 5-ARYLINDANE DERIVATIVES AND FERROELECTRIC LIQUID CRYSTAL MIXTURE CONTAINING SAME AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-04-22 WO disclosed
WO-1999019420-A2 5-ARYLINDANE DERIVATIVES AND FERROELECTRIC LIQUID CRYSTAL MIXTURE CONTAINING SAME AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-04-22 WO disclosed