SCHEMBL21535013

SCHEMBL21535013

CC(C)(F)CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCC[C@H]4COCN)c(F)c3)nn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.37
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
LRRK2 Q5S007 2/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CYP2D6 P10635 2/20 0.33
DPP4 P27487 2/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
SLC22A12 Q96S37 2/20 0.33
FFAR4 Q5NUL3 3/20 0.33
NR3C1 P04150 1/20 0.32
CNR2 P34972 1/20 0.32
POLB P06746 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
SCHEMBL15539058 0.88 CNR2 (0.39) GPR119PIK3CAPDK1PDK2PDK3
SCHEMBL15539062 0.88 CNR2 (0.39) GPR119PIK3CAPDK1PDK2PDK3
SCHEMBL20053643 0.85 GPR119 (0.43) GPR119PIK3CAMTORPDK1PDK2
SCHEMBL15538258 0.83 GPR119 (0.43) GPR119PDK1PDK2PDK3PDK4
SCHEMBL15538905 0.82 PIK3CA (0.41) GPR119PIK3CAMTORPDK1PDK2
SCHEMBL15538907 0.82 PIK3CA (0.41) GPR119PIK3CAMTORPDK1PDK2
SCHEMBL15537883 0.81 PIK3CA (0.43) GPR119PIK3CAMTORLRRK2PDK2
SCHEMBL15537881 0.81 PIK3CA (0.43) GPR119PIK3CAMTORLRRK2PDK2
SCHEMBL15537774 0.81 PIK3CA (0.44) GPR119PIK3CAMTORHCRTR1HCRTR2
SCHEMBL15537777 0.81 PIK3CA (0.44) GPR119PIK3CAMTORHCRTR1HCRTR2

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-2858986-B1 PIPERIDINE DERIVATIVES AS GPR119 AGONISTS CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2019-10-30 EP disclosed