SCHEMBL4258829

SCHEMBL4258829

CN1CCN=C1C=NC1CCCCC1N=CC1=NCCN1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
MAOA P21397 2/20 0.33
ABCB11 O95342 1/20 0.33
CHRM2 P08172 1/20 0.33
ACHE P22303 1/20 0.33
PTGS1 P23219 1/20 0.33
NR1I2 O75469 1/20 0.30
PGR P06401 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
PTGS2 P35354 1/20 0.30
OPRK1 P41145 1/20 0.30
CHRNA4 P43681 1/20 0.30
PDE4D Q08499 1/20 0.30
KCNH2 Q12809 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
SCHEMBL4258814 1.00 L3MBTL1 (0.33) L3MBTL1MAOAABCB11CHRM2ACHE
SCHEMBL4260486 0.71 ABCB11 (0.33) MAOAABCB11CHRM2ACHEPTGS1
SCHEMBL13351511 0.69 CHRM2 (0.39) MAOAABCB11CHRM2ACHEPTGS1
SCHEMBL4253287 0.67 L3MBTL1 (0.38) L3MBTL1CHRM2
SCHEMBL4253296 0.67 L3MBTL1 (0.38) L3MBTL1CHRM2
SCHEMBL4251597 0.67 L3MBTL1 (0.34) L3MBTL1
SCHEMBL4251587 0.67 L3MBTL1 (0.34) L3MBTL1
SCHEMBL13816974 0.66 ADRA2A (0.33) MAOANR1I2PGRADORA3PTGS2
SCHEMBL3499058 0.65
SCHEMBL4255879 0.64 L3MBTL1 (0.36) L3MBTL1

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