SCHEMBL8178561

SCHEMBL8178561

OCc1nc(C2CCNCC2)oc1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
PRKAA2 P54646 1/20 0.40
MAPK11 Q15759 2/20 0.39
MAPK14 Q16539 2/20 0.39
MAPK13 O15264 1/20 0.39
RAF1 P04049 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK12 P53778 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CASP6 P55212 1/20 0.37
PLAT P00750 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
USP7 Q93009 3/20 0.36

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
SCHEMBL8174924 0.86 ADRA1D (0.41) MPOMKNK1MKNK2MAPK11MAPK14
SCHEMBL8174657 0.86 PRKAA2 (0.41) PRKAA2LMNAALOX15TSHRMAPK1
SCHEMBL8174317 0.84 USP7 (0.40) MPOMKNK1MKNK2PRKAA2MAPK11
SCHEMBL8174451 0.80 ADRA1D (0.52) MPOMKNK1MKNK2MAPK11MAPK14
SCHEMBL3089251 0.80 NR4A2 (0.45) MPOMKNK1MKNK2MAPK11MAPK14
SCHEMBL8179453 0.79 ADRA1D (0.39) MPOMKNK1MKNK2MAPK11MAPK14
Hydrochloric Acid SCHEMBL8173485 0.79 ADRA1D (0.51) MPOMKNK1MKNK2MAPK11MAPK14
SCHEMBL8174185 0.79 LMNA (0.45) MAPK11MAPK14HTR2BLMNAALOX15
SCHEMBL8174322 0.79 USP7 (0.39) MPOMKNK1MKNK2PRKAA2MAPK11
SCHEMBL3100353 0.76 MAPK14 (0.44) MPOMKNK1MKNK2MAPK11MAPK14

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
US-6090825-A Oxazole derivatives as antagonists of alpha 1C andrenergic receptors GLAXO WELLCOME INC. (US) 2000-07-18 US disclosed
EP-0793658-A1 OXAZOLE DERIVATIVES AS ANTAGONISTS OF ALPHA-1C ADRENERGIC RECEPTORS GLAXO WELLCOME INC. (US) 1997-09-10 EP disclosed
WO-1996016049-A1 OXAZOLE DERIVATIVES AS ANTAGONISTS OF α-1C ADRENERGIC RECEPTORS GLAXO WELLCOME INC. (US) 1996-05-30 WO disclosed