SCHEMBL20053699

SCHEMBL20053699

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.42
SPHK1 Q9NYA1 3/20 0.41
SPHK2 Q9NRA0 2/20 0.41
MET P08581 1/20 0.40
PDK2 Q15119 1/20 0.40
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
CNR2 P34972 2/20 0.38
PDE4B Q07343 1/20 0.37

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
SCHEMBL20053586 0.92 XDH (0.41) XDHSPHK1SPHK2METPDK2
SCHEMBL20053560 0.91 PDK2 (0.42) XDHSPHK1SPHK2PDK2
SCHEMBL20053538 0.90 XDH (0.38) XDHCNR2
SCHEMBL16777086 0.89 CNR2 (0.43) XDHCNR2
SCHEMBL15539745 0.89 CNR2 (0.43) XDHCNR2
SCHEMBL16768915 0.89 XDH (0.38) XDHMETCNR2
SCHEMBL20053663 0.88 XDH (0.40) XDHCNR2
SCHEMBL15539543 0.88 PDK2 (0.40) XDHPDK2CNR2
SCHEMBL16803849 0.87 CNR2 (0.41) SPHK1SPHK2METPDK2HTR1A
SCHEMBL16803848 0.87 CNR2 (0.41) SPHK1SPHK2METPDK2HTR1A

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