SCHEMBL20053537

SCHEMBL20053537

CC(C)(F)CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCCCC4)c(F)c3)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.41
WNT1 P04628 2/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
GPR119 Q8TDV5 3/20 0.40
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LIPE Q05469 1/20 0.38
ATM Q13315 1/20 0.38
PIK3CA P42336 4/20 0.38
MTOR P42345 4/20 0.38
WDR5 P61964 3/20 0.38
GSK3B P49841 1/20 0.37
MET P08581 1/20 0.37
CYP2D6 P10635 1/20 0.37
CPS1 P31327 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
SCHEMBL20053592 0.92 HCRTR1 (0.40) HCRTR1HCRTR2GPR119KCNH2HRH3
SCHEMBL15538166 0.91 PIK3CA (0.44) DYRK1AWNT1HCRTR1HCRTR2GPR119
SCHEMBL15539856 0.91 PIK3CA (0.44) DYRK1AWNT1HCRTR1HCRTR2GPR119
SCHEMBL15538162 0.91 PIK3CA (0.44) DYRK1AWNT1HCRTR1HCRTR2GPR119
SCHEMBL18849078 0.91 HCRTR1 (0.40) HCRTR1HCRTR2GPR119KCNH2HRH3
SCHEMBL15538113 0.90 GPR119 (0.40) DYRK1AWNT1GPR119LIPEPIK3CA
SCHEMBL15539262 0.89 MTOR (0.43) DYRK1AWNT1HCRTR1HCRTR2GPR119
SCHEMBL15539820 0.89 MTOR (0.43) DYRK1AWNT1HCRTR1HCRTR2GPR119
SCHEMBL15539265 0.89 MTOR (0.43) DYRK1AWNT1HCRTR1HCRTR2GPR119
SCHEMBL20053726 0.89 GPR119 (0.45) DYRK1AHCRTR1HCRTR2GPR119PIK3CA

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 2 patents. 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
US-9944600-B2 Piperidine derivatives for GPR119 agonist CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-04-17 US disclosed