SCHEMBL2567754

SCHEMBL2567754

CC(C)CN(CC(C)C)C1(C#N)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 1/20 0.40
PDE4A P27815 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL2229070 0.76 PDE4A (0.33) PDE4A
SCHEMBL9592885 0.74 ALDH1A1 (0.36) PDE4A
SCHEMBL9594664 0.71 PDE4A (0.34) PDE4A
SCHEMBL2561297 0.70 ALDH1A1 (0.36) PDE4ARXFP1
SCHEMBL3042550 0.67 PDE4A (0.43) CYP1A2PDE4ARXFP1
SCHEMBL27284377 0.67 CYP1A2 (0.36) CYP1A2MAPK1
SCHEMBL5069379 0.66 PDE4A (0.46) PDE4ARXFP1
SCHEMBL2565999 0.66 PDE4A (0.46) PDE4ARXFP1
SCHEMBL24820447 0.64 CYP1A2 (0.42) CYP1A2MAPK1
SCHEMBL27257058 0.64 ALDH1A1 (0.34) CYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382240-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP Bridgestone Corporation (JP) 2011-11-02 EP disclosed
WO-2010085622-A9 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-12-23 WO disclosed
WO-2010085622-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-07-29 WO disclosed