SCHEMBL21043258

SCHEMBL21043258

CCC(F)(CC)CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCC(O)C4)c(F)c3)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.43
PIK3CA P42336 5/20 0.43
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
GPR119 Q8TDV5 3/20 0.38
GABRA5 P31644 1/20 0.38
LIPE Q05469 1/20 0.38
WDR5 P61964 3/20 0.37
SCN9A Q15858 2/20 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
SCHEMBL18848898 1.00 MTOR (0.43) MTORPIK3CAALOX5APFEN1HCRTR1
SCHEMBL15539839 0.95 PIK3CA (0.45) MTORPIK3CAALOX5APFEN1HCRTR1
SCHEMBL15538347 0.95 PIK3CA (0.45) MTORPIK3CAALOX5APFEN1HCRTR1
SCHEMBL15538344 0.95 PIK3CA (0.45) MTORPIK3CAALOX5APFEN1HCRTR1
SCHEMBL18849079 0.94 MTOR (0.43) MTORPIK3CAALOX5APFEN1HCRTR1
SCHEMBL15539820 0.92 MTOR (0.43) MTORPIK3CAALOX5APFEN1HCRTR1
SCHEMBL15539265 0.92 MTOR (0.43) MTORPIK3CAALOX5APFEN1HCRTR1
SCHEMBL15539262 0.92 MTOR (0.43) MTORPIK3CAALOX5APFEN1HCRTR1
SCHEMBL18849015 0.91 MTOR (0.42) MTORPIK3CAALOX5APFEN1HCRTR1
SCHEMBL21043182 0.91 MTOR (0.42) MTORPIK3CAALOX5APFEN1HCRTR1

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
EP-3074384-B1 AMIDE DERIVATIVES FOR GPR119 AGONIST CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2019-05-22 EP disclosed