SCHEMBL1650443

SCHEMBL1650443

C1=C2CCNCCC2CCC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.37
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAPT P10636 2/20 0.33
HTR2C P28335 6/20 0.32
HTR3A P46098 1/20 0.32
THRB P10828 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
PLG P00747 2/20 0.32
QDPR P09417 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
SCHEMBL27752202 0.86 KDM1A (0.44) HRH4SLC18A3SIGMAR1MAPTHTR2C
SCHEMBL828613 0.82 HRH4 (0.34) HRH4SLC18A3SIGMAR1MAPTHTR3A
SCHEMBL13772777 0.79 SIGMAR1 (0.39) SLC18A3SIGMAR1MAPTHTR2CTHRB
SCHEMBL121088 0.78
SCHEMBL6856181 0.78
SCHEMBL10934615 0.78
SCHEMBL80431 0.76 KDM1A (0.45) MAPT
Cyclohexane SCHEMBL961578 0.76 MAPT (0.41) MAPT
SCHEMBL6083553 0.76 HTR3A (0.44) HTR2CHTR3A
Methoxymethane SCHEMBL3899156 0.76 HTR2C (0.34) HRH4HTR2CHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655497-A1 THERMOPLASTIC MOLDING COMPOSITION BASF SE (DE) 2013-10-30 EP disclosed
EP-2488210-A2 METHODS AND COMPOSITIONS FOR MODULATING GENE EXPRESSION USING OLIGONUCLEOTIDE BASED DRUGS ADMINISTERED IN VIVO OR IN VITRO Smith Holdings, LLC (US) 2012-08-22 EP disclosed
WO-2012084777-A1 THERMOPLASTIC MOLDING COMPOSITION BASF SE (DE) 2012-06-28 WO disclosed
WO-2011046983-A2 METHODS AND COMPOSITIONS FOR MODULATING GENE EXPRESSION USING OLIGONUCLEOTIDE BASED DRUGS ADMINISTERED IN VIVO OR IN VITRO SMITH HOLDINGS, LLC (US) 2011-04-21 WO disclosed
EP-1934206-A1 PHENYL- AND PYRIDYL-I, 2 , 4 -OXADIAZOLONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-06-25 EP disclosed
WO-2007039172-A1 PHENYL- AND PYRIDYL-I, 2 , 4 -OXADIAZOLONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
EP-1117652-A1 TAN-1057 DERIVATIVES Bayer Aktiengesellschaft (DE) 2001-07-25 EP disclosed
WO-2000012484-A1 TAN-1057 DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-09 WO disclosed