SCHEMBL150644

SCHEMBL150644

CN(Cc1ccccc1)C1CC=C(C#N)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.47
DRD3 P35462 2/20 0.41
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
GRIN2B Q13224 1/20 0.41
SLC6A4 P31645 1/20 0.40
SLC18A3 Q16572 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GCGR P47871 1/20 0.39
TSHR P16473 1/20 0.38
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
OPRM1 P35372 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
AOC3 Q16853 1/20 0.36

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
SCHEMBL151647 0.86 DRD3 (0.56) NAAADRD3NOS3NOS1NOS2
SCHEMBL153854 0.85 DRD3 (0.43) NAAADRD3NOS3NOS1NOS2
SCHEMBL148666 0.83 DRD3 (0.46) DRD3NOS3NOS1NOS2GRIN2B
SCHEMBL148256 0.77 DRD3 (0.41) DRD3NOS2SLC6A4DRD2DRD4
SCHEMBL150098 0.75 DRD3 (0.60) DRD3GRIN2BSLC6A4ALDH1A1DRD2
SCHEMBL10347135 0.74 GRIN2B (0.53) NAAADRD3GRIN2BSLC18A3ALDH1A1
SCHEMBL149040 0.73 DRD3 (0.44) DRD3NOS2SLC6A4ALDH1A1TSHR
SCHEMBL151660 0.73 DRD3 (0.45) DRD3SLC6A4DRD2DRD4HRH3
SCHEMBL151486 0.73 DRD3 (0.62) DRD3NOS3NOS1NOS2GRIN2B
Hydrochloric Acid SCHEMBL9716399 0.73 GRIN2B (0.51) NAAADRD3GRIN2BSLC18A3ALDH1A1

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 12 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
CN-103333275-A Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORP 2013-10-02 CN disclosed
CN-102361887-B Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORP 2013-06-26 CN disclosed
US-20130085227-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2013-04-04 US disclosed
CN-103025816-A Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORP 2013-04-03 CN 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