SCHEMBL7915416

SCHEMBL7915416

CCNC(=O)NCc1ccc(OCc2ccc(OC)c(-c3cccc(N)c3)c2F)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.39
FFAR1 O14842 3/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CD274 Q9NZQ7 4/20 0.36
KMT2A Q03164 1/20 0.35
ABL1 P00519 1/20 0.35
KIT P10721 1/20 0.35
ALKBH1 Q13686 1/20 0.34
CTSA P10619 1/20 0.34
AOC3 Q16853 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34

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
SCHEMBL10440229 0.88 CYP1A2 (0.41) ADORA2ACD274ABL1CTSA
SCHEMBL8070542 0.80 MET (0.45) ABL1
SCHEMBL3466353 0.79 MAPK1 (0.42) KMT2AABL1
SCHEMBL3466339 0.78 HCRTR1 (0.39) CTSA
SCHEMBL3788516 0.77 CYP1A2 (0.40) ADORA2ACD274KMT2AABL1
SCHEMBL7913183 0.77 MAPK1 (0.41) ABL1
SCHEMBL7917992 0.76 ADORA2A (0.38) ADORA2AFFAR1KMT2AKITCTSA
SCHEMBL10442060 0.73 SMN1; SMN2 (0.40) FFAR1MTNR1AMTNR1BKITCTSA
SCHEMBL7916577 0.71 PDE4D (0.41) CTSA
Hydrochloric Acid SCHEMBL3790284 0.70 PDE4D (0.41) CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed