SCHEMBL20053632

SCHEMBL20053632

NC(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(NCC3CCN(CC4(C(F)(F)F)CCC4)CC3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.43
SPHK1 Q9NYA1 4/20 0.40
SPHK2 Q9NRA0 2/20 0.40
DPP4 P27487 5/20 0.40
VNN1 O95497 1/20 0.37
HTR1A P08908 2/20 0.37
HTR7 P34969 2/20 0.37
PIK3CA P42336 1/20 0.36
HSD11B1 P28845 1/20 0.35
JAK2 O60674 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SSTR5 P35346 1/20 0.35

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
SCHEMBL20053705 0.97 PDK2 (0.40) PDK2SPHK1SPHK2DPP4VNN1
SCHEMBL15539597 0.88 PDK2 (0.42) PDK2DPP4HTR1AHTR7
SCHEMBL15540105 0.88 PDK2 (0.42) PDK2DPP4HTR1AHTR7
SCHEMBL16803933 0.87 DPP4 (0.41) PDK2SPHK1SPHK2DPP4VNN1
SCHEMBL15539668 0.86 HCRTR1 (0.40) PDK2DPP4HTR1AHTR7
SCHEMBL15538724 0.86 HCRTR1 (0.40) PDK2DPP4HTR1AHTR7
SCHEMBL18849074 0.85 SPHK2 (0.49) PDK2SPHK1SPHK2
SCHEMBL16803935 0.84 JAK2 (0.40) SPHK1SPHK2DPP4VNN1HTR1A
SCHEMBL16803879 0.84 PDK2 (0.43) PDK2SPHK1SPHK2DPP4VNN1
SCHEMBL15538880 0.84 SSTR5 (0.47) 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