SCHEMBL3747583

SCHEMBL3747583

COc1c(C#N)ccc(C2CCC2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 10/20 0.43
ALOX5AP P20292 9/20 0.43
HTR2A P28223 4/20 0.43
AR P10275 3/20 0.38
CHEK1 O14757 2/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 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
SCHEMBL3739617 0.97 HTR2A (0.43) FEN1ALOX5APHTR2AARCHEK1
SCHEMBL3749818 0.95 HTR2A (0.42) FEN1ALOX5APHTR2AARCHEK1
SCHEMBL3743094 0.94 HTR2A (0.39) FEN1ALOX5APHTR2AARCHEK1
SCHEMBL293119 0.79 KCNJ1 (0.36) HTR2AAR
SCHEMBL19614567 0.78 FEN1 (0.42) FEN1ALOX5APHTR2AHCRTR1HCRTR2
SCHEMBL17729508 0.76 HTR2A (0.39) FEN1ALOX5APHTR2AHCRTR1HCRTR2
SCHEMBL17202931 0.74 HTR2A (0.40) FEN1ALOX5APHTR2AARHCRTR1
SCHEMBL29058360 0.74 OPRL1 (0.40) FEN1ALOX5APHTR2AHCRTR1HCRTR2
SCHEMBL2959996 0.70 KDM4E (0.44) AR
SCHEMBL7961132 0.70 ALDH1A1 (0.48) AR

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-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed