SCHEMBL150606

SCHEMBL150606

CCN(c1ccccc1)C1CC=C(C#N)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.57
DRD2 P14416 10/20 0.47
DRD4 P21917 9/20 0.47
HTR2A P28223 3/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
MTOR P42345 1/20 0.40
HTT P42858 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
GHSR Q92847 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
NOS2 P35228 1/20 0.38

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
SCHEMBL149040 0.87 DRD3 (0.44) DRD3DRD2DRD4HTR2ACHRM1
SCHEMBL148293 0.81 DRD3 (0.54) DRD3DRD2DRD4HTR2ASLC6A2
SCHEMBL151486 0.81 DRD3 (0.62) DRD3DRD2DRD4HTR2ASLC6A2
SCHEMBL150590 0.80 DRD3 (0.53) DRD3DRD2DRD4HTR2ASLC6A2
SCHEMBL148276 0.79 DRD3 (0.77) DRD3DRD2DRD4HTR2ANOS2
SCHEMBL150098 0.77 DRD3 (0.60) DRD3DRD2DRD4HTR2ASLC6A2
SCHEMBL151647 0.76 DRD3 (0.56) DRD3DRD2DRD4SLC6A4HRH3
SCHEMBL27622558 0.74 OPRM1 (0.49) DRD3DRD2HTR2ACHRM1ADRA2C
SCHEMBL152621 0.74 DRD3 (0.60) DRD3DRD2DRD4SLC6A2SLC6A4
SCHEMBL150198 0.73 DRD3 (0.63) DRD3DRD2DRD4SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526149-B1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORP (JP) 2017-03-01 EP disclosed
US-9469710-B2 Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORPORATION (JP) 2016-10-18 US disclosed
US-20150148489-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2015-05-28 US disclosed
US-8735494-B2 Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORPORATION (JP) 2014-05-27 US disclosed
US-20130085227-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2013-04-04 US disclosed
US-8344066-B2 Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORPORATION (JP) 2013-01-01 US disclosed
US-20120296041-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2012-11-22 US disclosed
US-20120059112-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS COMTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2012-03-08 US disclosed
CN-102361887-A Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORP 2012-02-22 CN disclosed