SCHEMBL14923217

SCHEMBL14923217

CCOC1CCC(N2CCC(Nc3cc(C4CC4)ccc3N)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC3 O15379 1/20 0.40
IRAK4 Q9NWZ3 7/20 0.36
TLR9 Q9NR96 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CAMK2D Q13557 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CCR5 P51681 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CCR2 P41597 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32

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
SCHEMBL606108 1.00 HDAC1 (0.40) HDAC1HDAC2HDAC3IRAK4TLR9
SCHEMBL606846 0.93 HDAC1 (0.38) HDAC1HDAC2HDAC3IRAK4TLR9
SCHEMBL605791 0.86 CHRM2 (0.37) IRAK4ALOX15
SCHEMBL605792 0.86 CHRM2 (0.37) IRAK4ALOX15
SCHEMBL606849 0.86 CHRM2 (0.37) IRAK4ALOX15
SCHEMBL10203529 0.85 MAPK8 (0.37) HDAC1HDAC2HDAC3IRAK4ALOX15
SCHEMBL3578860 0.85 IRAK4 (0.35) IRAK4CCR5ALOX15TRPV6
SCHEMBL607724 0.85 IRAK4 (0.39) IRAK4HRH3ALOX15CCR2
SCHEMBL10203532 0.84 ALDH1A1 (0.40) IRAK4HRH3
SCHEMBL605427 0.83 IRAK4 (0.41) IRAK4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004182-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-08 EP disclosed