SCHEMBL20053698

SCHEMBL20053698

CC(C)(CN1CCC(CNc2ccc(-c3ccc(C(O)N4CCC[C@H]4C(N)=O)cc3)cc2)CC1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.34
PIK3CA P42336 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
C5AR1 P21730 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SCN9A Q15858 1/20 0.32
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
DPP4 P27487 2/20 0.31
ACHE P22303 1/20 0.31
BACE1 P56817 1/20 0.31
KCNH2 Q12809 1/20 0.30
CACNA1I Q9P0X4 1/20 0.30
LTA4H P09960 1/20 0.30
BCHE P06276 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL20053700 0.83 SPHK1 (0.41) SSTR5PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL20053660 0.79 CYP2D6 (0.35) SSTR5CARM1PRMT6ACHEBACE1
SCHEMBL15537935 0.78 PDK2 (0.39) PIK3CAPIK3CDPIK3CBPIK3CGSCN9A
SCHEMBL15540337 0.77 SSTR5 (0.52) SSTR5CARM1PRMT6ACHEBACE1
SCHEMBL21535007 0.76 HRH3 (0.42) SSTR5
SCHEMBL16803879 0.76 PDK2 (0.43) SSTR5PIK3CADPP4
SCHEMBL16777015 0.76 CHRM4 (0.46) SSTR5ACHEBACE1LTA4H
SCHEMBL21534966 0.75 HRH3 (0.42) SSTR5
SCHEMBL16803937 0.74 DPP4 (0.43) PIK3CADPP4
SCHEMBL15539256 0.74 GRM3 (0.41) SSTR5

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