SCHEMBL20053560

SCHEMBL20053560

CC(C)(F)CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCC[C@H]4C(N)=O)cc3F)cc2C#N)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.42
KDM1A O60341 13/20 0.39
XDH P47989 2/20 0.39
GYS1 P13807 3/20 0.38
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 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
SCHEMBL20053730 0.93 PDK2 (0.40) PDK2KDM1AXDHGYS1SPHK2
SCHEMBL16803827 0.92 PDK2 (0.45) PDK2GYS1SPHK2SPHK1
SCHEMBL20053699 0.91 XDH (0.42) PDK2XDHSPHK2SPHK1
SCHEMBL20053561 0.91 XDH (0.39) PDK2KDM1AXDH
SCHEMBL16803854 0.90 PDK2 (0.42) PDK2KDM1AGYS1SPHK2SPHK1
SCHEMBL16803855 0.90 PDK2 (0.42) PDK2KDM1AGYS1SPHK2SPHK1
SCHEMBL15539792 0.88 CNR2 (0.37) PDK2XDHGYS1
SCHEMBL20053538 0.88 XDH (0.38) XDH
SCHEMBL16803826 0.87 PDK2 (0.46) PDK2GYS1SPHK2SPHK1
SCHEMBL15539543 0.87 PDK2 (0.40) PDK2XDH

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