SCHEMBL3259408

SCHEMBL3259408

C[N+]1(Cc2cccc(N)c2)CCCC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.61
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
MAOB P27338 3/20 0.44
MAOA P21397 2/20 0.44
CYP19A1 P11511 1/20 0.43
SIGMAR1 Q99720 2/20 0.39
CYP3A4 P08684 1/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
HSD11B1 P28845 1/20 0.37
ADRA2C P18825 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL674393 0.79 CHRNA7 (0.61) CHRNA7CHRNB2CHRNA4
SCHEMBL6771829 0.79 CHRNA7 (0.61) CHRNA7CHRNB2CHRNA4
SCHEMBL12493084 0.77 MAOB (0.43) CHRNA7MAOBMAOACYP19A1SIGMAR1
SCHEMBL3681307 0.77 CHRNA7 (0.60) CHRNA7CHRNB2CHRNA4
SCHEMBL20017818 0.76 CHRNB2 (0.62) CHRNA7CHRNB2CHRNA4MAOBMAOA
SCHEMBL724930 0.75 CHRNB2 (0.61) CHRNA7CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL2458828 0.75 CHRNA7 (0.58) CHRNA7CHRNB2CHRNA4
Iodide SCHEMBL3691022 0.75 CHRNA7 (0.63) CHRNA7CHRNB2CHRNA4
SCHEMBL10256901 0.75 CHRNB2 (0.61) CHRNA7CHRNB2CHRNA4
Water SCHEMBL3683454 0.75 CHRNA7 (0.58) CHRNA7CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1873168-B1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES BRIDGESTONE CORP (JP) 2012-12-12 EP claimed
US-20090292043-A1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES BRIDGESTONE CORPORATION (JP) 2009-11-26 US claimed
EP-1873168-A1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES Bridgestone Corporation (JP) 2008-01-02 EP claimed
EP-1873168-B1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES BRIDGESTONE CORP (JP) 2012-12-12 EP disclosed
US-7671136-B2 Modified polymers prepared with lanthanide-based catalysts BRIDGESTONE CORPORATION (JP) 2010-03-02 US disclosed
US-20090292043-A1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES BRIDGESTONE CORPORATION (JP) 2009-11-26 US disclosed
EP-1873168-A1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES Bridgestone Corporation (JP) 2008-01-02 EP disclosed
EP-1237935-B1 MODIFIED POLYMERS PREPARED WITH LANTHANIDE-BASED CATALYSTS BRIDGESTONE CORP (JP) 2007-01-24 EP disclosed
US-20060025539-A1 Modified polymers prepared with lanthanide-based catalysts OZAWA YOICHI 2006-02-02 US disclosed
US-6977281-B1 Modified polymers prepared with lanthanide-based catalysts BRIDGESTONE CORPORATION (JP) 2005-12-20 US disclosed