SCHEMBL4260486

SCHEMBL4260486

CN1CCN=C1C=NCCN=CC1=NCCN1C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.33
CHRM2 P08172 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL13351511 0.74 CHRM2 (0.39) ABCB11CHRM2MAOAACHEPTGS1
SCHEMBL13816974 0.74 ADRA2A (0.33) MAOA
SCHEMBL4258814 0.71 L3MBTL1 (0.33) ABCB11CHRM2MAOAACHEPTGS1
SCHEMBL4258829 0.71 L3MBTL1 (0.33) ABCB11CHRM2MAOAACHEPTGS1
SCHEMBL3499058 0.70
Iodide SCHEMBL11394065 0.68
SCHEMBL6775793 0.63
SCHEMBL4254243 0.61 CHRM2 (0.37) CHRM2
SCHEMBL4254248 0.61 CHRM2 (0.37) CHRM2
SCHEMBL11636467 0.61 FAAH (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268933-B2 Polymers functionalized with polyimine compounds BRIDGESTONE CORPORATION (JP) 2012-09-18 US claimed
US-20090171035-A1 POLYMERS FUNCTIONALIZED WITH POLYIMINE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-07-02 US claimed
US-8268933-B2 Polymers functionalized with polyimine compounds BRIDGESTONE CORPORATION (JP) 2012-09-18 US disclosed
US-20090171035-A1 POLYMERS FUNCTIONALIZED WITH POLYIMINE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-07-02 US disclosed