SCHEMBL8551836

SCHEMBL8551836

CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Cl)c3)[nH]2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
RPS6KA3 P51812 1/20 0.46
MAPK14 Q16539 7/20 0.45
MAPK13 O15264 4/20 0.45
MAPK12 P53778 4/20 0.45
MAPK11 Q15759 4/20 0.45
RAF1 P04049 2/20 0.45
MAPK9 P45984 2/20 0.45
HPGDS O60760 1/20 0.43
GRIA1 P42261 1/20 0.43
FAAH O00519 2/20 0.43
GSK3B P49841 2/20 0.43
GPR119 Q8TDV5 3/20 0.42
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
GSK3A P49840 1/20 0.41

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
SCHEMBL4025352 0.88 CSNK1A1 (0.60) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK13
SCHEMBL4584849 0.88 CSNK1A1 (0.60) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK13
SCHEMBL8549534 0.82 MAPK14 (0.50) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK13
SCHEMBL8554729 0.80 MAPK13 (0.43) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK13
SCHEMBL4721168 0.79 HPGDS (0.43) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK13
SCHEMBL4028406 0.78 MAPK14 (0.59) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK13
SCHEMBL3099823 0.78 HTT (0.59) HPGDSGPR119
SCHEMBL6880496 0.78 MAPK14 (0.54) CSNK1A1CSNK1DMAPK14MAPK13MAPK12
SCHEMBL4025591 0.77 HTT (0.47) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL8638666 0.76 CSNK1A1 (0.61) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK13

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-0831830-A4 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-12-02 EP disclosed
EP-0831830-A1 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-01 EP disclosed
WO-1996040143-A1 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-12-19 WO disclosed