SCHEMBL20053700

SCHEMBL20053700

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.41
SPHK2 Q9NRA0 4/20 0.41
DPP4 P27487 5/20 0.41
PDK2 Q15119 1/20 0.40
HTR1A P08908 2/20 0.39
HTR7 P34969 2/20 0.39
VNN1 O95497 1/20 0.38
PIK3CA P42336 2/20 0.37
SSTR5 P35346 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
HSD11B1 P28845 1/20 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
SCHEMBL16803879 0.93 PDK2 (0.43) SPHK1SPHK2DPP4PDK2HTR1A
SCHEMBL16803937 0.91 DPP4 (0.43) SPHK1SPHK2DPP4PDK2HTR1A
SCHEMBL16803775 0.90 PDK2 (0.41) SPHK1SPHK2DPP4PDK2HTR1A
SCHEMBL21534659 0.90 PDK2 (0.41) SPHK1SPHK2DPP4PDK2HTR1A
SCHEMBL15537935 0.88 PDK2 (0.39) DPP4PDK2HTR1AHTR7PIK3CA
SCHEMBL21535007 0.84 HRH3 (0.42) PDK2SSTR5
SCHEMBL20053698 0.83 SSTR5 (0.34) DPP4PIK3CASSTR5PIK3CDPIK3CB
SCHEMBL21534966 0.83 HRH3 (0.42) PDK2SSTR5
SCHEMBL20053632 0.83 PDK2 (0.43) SPHK1SPHK2DPP4PDK2HTR1A
SCHEMBL15540337 0.82 SSTR5 (0.52) 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