SCHEMBL20053586

SCHEMBL20053586

CCC(F)(CC)CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCC[C@H]4C(N)=O)cc3)cc2C#N)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.41
SPHK2 Q9NRA0 2/20 0.40
SPHK1 Q9NYA1 2/20 0.40
MET P08581 1/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
CNR2 P34972 2/20 0.37
PDK2 Q15119 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PDE4B Q07343 2/20 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
SCHEMBL20053699 0.92 XDH (0.42) XDHSPHK2SPHK1METHTR1A
SCHEMBL20053730 0.91 PDK2 (0.40) XDHSPHK2SPHK1PDK2
SCHEMBL20053621 0.90 XDH (0.37) XDHCNR2
SCHEMBL20053561 0.89 XDH (0.39) XDHPDK2
SCHEMBL16777238 0.89 POLB (0.43) XDHSPHK2SPHK1METPDK2
SCHEMBL15538694 0.89 POLB (0.43) XDHSPHK2SPHK1METPDK2
SCHEMBL15539509 0.88 PDK2 (0.37) XDHCNR2PDK2
SCHEMBL15538319 0.87 CNR2 (0.36) XDHCNR2PDK2
SCHEMBL16803771 0.87 SPHK2 (0.42) SPHK2SPHK1METHTR1AHTR7
SCHEMBL20053588 0.86 XDH (0.44) XDH

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