SCHEMBL8174233

SCHEMBL8174233

COCc1nc(C2CCN(C(C)=O)CC2)oc1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
HCRTR2 O43614 1/20 0.45
LMNA P02545 3/20 0.43
TSHR P16473 3/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
KCNH2 Q12809 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 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
SCHEMBL8174185 0.90 LMNA (0.45) ADRA1DADRA1AADRA1BLMNATSHR
SCHEMBL8166794 0.87 ADRA1D (0.57) ADRA1DADRA1AADRA1BLMNATSHR
SCHEMBL8174924 0.80 ADRA1D (0.41) ADRA1DADRA1AADRA1BHCRTR2KCNH2
SCHEMBL8178641 0.79 ADRA1D (0.49) ADRA1DADRA1AADRA1BHCRTR2LMNA
SCHEMBL8174265 0.78 HCRTR2 (0.42) HCRTR2LMNAALOX15MAPK1MAPT
SCHEMBL8173512 0.77 HTR2B (0.46) HCRTR2LMNAALOX15MAPK1TUBB4A
SCHEMBL8174249 0.72 ADRA1D (0.84) ADRA1DADRA1AADRA1BCDK9
SCHEMBL8174657 0.70 PRKAA2 (0.41) ADRA1DADRA1AADRA1BHCRTR2LMNA
SCHEMBL3092492 0.70 FAAH (0.51) LMNAMAPK11MAPK14TUBB4ATUBB
SCHEMBL3102619 0.70 SMN1; SMN2 (0.50) MAPTSMN1; SMN2GAAMEN1KMT2A

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
US-6090825-A Oxazole derivatives as antagonists of alpha 1C andrenergic receptors GLAXO WELLCOME INC. (US) 2000-07-18 US disclosed