SCHEMBL8225083

SCHEMBL8225083

CN1CCC(=NOCc2cccc(C#N)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.46
HTR6 P50406 2/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
TACR1 P25103 1/20 0.39
MRGPRX1 Q96LB2 1/20 0.39
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRM5 P41594 3/20 0.38
DRD2 P14416 2/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
GLA P06280 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL4384704 0.80 L3MBTL1 (0.45) MAOAMAOB
SCHEMBL13589015 0.79 CYP3A4 (0.43) GRM5
SCHEMBL4380262 0.78 LMNA (0.48) GRM5
SCHEMBL8225081 0.77 RORC (0.43)
SCHEMBL4385458 0.77 PKM (0.39) MAOAMAOB
SCHEMBL4383772 0.76 ATM (0.42) TACR1GRM5
SCHEMBL4382363 0.76 GPBAR1 (0.47) GLA
SCHEMBL4377612 0.76 ALDH1A1 (0.44)
SCHEMBL4381221 0.76 LMNA (0.43)
SCHEMBL8221909 0.76 DPP7 (0.40) MAOBTACR1MRGPRX1GRM5FFAR1

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
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 WO disclosed