SCHEMBL20053592

SCHEMBL20053592

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
MTOR P42345 10/20 0.39
PIK3CA P42336 9/20 0.39
GPR119 Q8TDV5 3/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
LIPE Q05469 1/20 0.37
ATM Q13315 1/20 0.37
WDR5 P61964 3/20 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
SCHEMBL18849078 0.93 HCRTR1 (0.40) HCRTR1HCRTR2MTORPIK3CAGPR119
SCHEMBL20053537 0.92 DYRK1A (0.41) HCRTR1HCRTR2MTORPIK3CAGPR119
SCHEMBL15538347 0.91 PIK3CA (0.45) HCRTR1HCRTR2MTORPIK3CAATM
SCHEMBL21535010 0.91 HCRTR1 (0.42) HCRTR1HCRTR2MTORPIK3CAGPR119
SCHEMBL15538344 0.91 PIK3CA (0.45) HCRTR1HCRTR2MTORPIK3CAATM
SCHEMBL15539839 0.91 PIK3CA (0.45) HCRTR1HCRTR2MTORPIK3CAATM
SCHEMBL21043258 0.90 MTOR (0.43) HCRTR1HCRTR2MTORPIK3CAGPR119
SCHEMBL18848898 0.90 MTOR (0.43) HCRTR1HCRTR2MTORPIK3CAGPR119
SCHEMBL15538191 0.89 RARA (0.42) GPR119KCNH2LIPEATMWDR5
SCHEMBL20053648 0.87 CYP2D6 (0.44) GPR119HRH3LIPE

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