SCHEMBL3419949

SCHEMBL3419949

CN(C)CCOc1cc[c]cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.44
KDM4E B2RXH2 6/20 0.43
MAPT P10636 1/20 0.42
HTR1B P28222 1/20 0.41
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
PDE5A O76074 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE7A Q13946 1/20 0.39
PDE1C Q14123 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
UTS2R Q9UKP6 1/20 0.38

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
SCHEMBL27869504 0.92 ALDH1A1 (0.44) KDM4EMAPTHTR1BPDE5APDE4D
SCHEMBL27639454 0.87 HTR7 (0.44) HTR7KDM4EMAPTHTR1BDRD2
SCHEMBL188778 0.83 KDM4E (0.53) HTR7KDM4EHTR1BDRD2DRD1
SCHEMBL161592 0.81 CSNK2A1 (0.47) KDM4EMAPTPDE7AALDH1A1GAA
SCHEMBL2479633 0.80 HTR7 (0.53) HTR7KDM4EHTR1BDRD2DRD1
SCHEMBL4577229 0.80 HTR7 (0.53) HTR7KDM4EHTR1BDRD2DRD1
SCHEMBL27991741 0.80 ESR1 (0.44) HTR7KDM4EHTR1BDRD2DRD1
SCHEMBL16240198 0.80 HTR7 (0.60) HTR7KDM4EHTR1BDRD2DRD1
SCHEMBL27852671 0.80 KDM4E (0.50) KDM4EMAPTHTR1BALDH1A1TDP1
SCHEMBL160991 0.79 SMN1; SMN2 (0.45) MAPTALDH1A1TDP1MEN1KMT2A

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
EP-2231625-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
WO-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 WO disclosed