SCHEMBL8166223

SCHEMBL8166223

O=C(ON1CCC(c2nc(COCC(F)(F)F)c(-c3ccc(Cl)cc3)o2)CC1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
FAAH O00519 5/20 0.34
SSTR5 P35346 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
HCRTR2 O43614 1/20 0.33
MAPK1 P28482 1/20 0.32
ALOX5 P09917 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL8166220 0.83 ADRA1D (0.42) ADRA1DADRA1AADRA1BLMNATSHR
SCHEMBL8175103 0.82 TRPC3 (0.49) ADRA1DADRA1AADRA1BSMN1; SMN2FAAH
SCHEMBL8166794 0.78 ADRA1D (0.57) ADRA1DADRA1AADRA1BLMNATSHR
SCHEMBL8178641 0.77 ADRA1D (0.49) ADRA1DADRA1AADRA1BLMNAHCRTR2
SCHEMBL8166964 0.74 ADRA1D (0.59) ADRA1DADRA1AADRA1BLMNATSHR
SCHEMBL8173521 0.72 ADRA1D (0.53) ADRA1DADRA1AADRA1BTSHRMEN1
SCHEMBL8174451 0.72 ADRA1D (0.52) ADRA1DADRA1AADRA1B
SCHEMBL8180362 0.71 ADRA1D (0.44) ADRA1DADRA1AADRA1BMEN1KMT2A
Hydrochloric Acid SCHEMBL8174041 0.71 ADRA1D (0.87) ADRA1DADRA1AADRA1BTSHRSSTR5
Hydrochloric Acid SCHEMBL8173485 0.71 ADRA1D (0.51) ADRA1DADRA1AADRA1B

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