SCHEMBL20053737

SCHEMBL20053737

CC(C)(F)CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCCC4C(N)=O)cc3)c(F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 2/20 0.45
SPHK1 Q9NYA1 2/20 0.45
PDK2 Q15119 1/20 0.44
ALDH1A1 P00352 1/20 0.40
GYS1 P13807 7/20 0.40
PARP10 Q53GL7 2/20 0.39
PARP15 Q460N3 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 1/20 0.39
SCN9A Q15858 1/20 0.38

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
SCHEMBL16803738 1.00 SPHK2 (0.45) SPHK2SPHK1PDK2ALDH1A1GYS1
SCHEMBL16803882 0.98 SPHK1 (0.42) SPHK2SPHK1PDK2ALDH1A1GYS1
SCHEMBL16803885 0.98 SPHK1 (0.42) SPHK2SPHK1PDK2ALDH1A1GYS1
SCHEMBL16803826 0.95 PDK2 (0.46) SPHK2SPHK1PDK2ALDH1A1GYS1
SCHEMBL16803817 0.94 PDK2 (0.47) SPHK2SPHK1PDK2ALDH1A1GYS1
SCHEMBL16803857 0.91 PDK2 (0.45) SPHK2SPHK1PDK2ALDH1A1PARP10
SCHEMBL16803877 0.91 PDK2 (0.45) SPHK2SPHK1PDK2ALDH1A1PARP10
SCHEMBL16803739 0.91 PARP10 (0.44) SPHK2SPHK1PDK2GYS1PARP10
SCHEMBL20053733 0.91 PARP10 (0.44) SPHK2SPHK1PDK2GYS1PARP10
SCHEMBL16803785 0.90 SPHK2 (0.51) SPHK2SPHK1PDK2ALDH1A1PARP10

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