SCHEMBL20053561

SCHEMBL20053561

CCC(F)(CC)CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCCC[C@@H]4C(N)=O)cc3F)cc2C#N)CC1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.39
KDM1A O60341 15/20 0.38
PDK2 Q15119 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
SCHEMBL20053730 0.98 PDK2 (0.40) XDHKDM1APDK2
SCHEMBL20053560 0.91 PDK2 (0.42) XDHKDM1APDK2
SCHEMBL16803772 0.90 PDK2 (0.42) PDK2
SCHEMBL20053586 0.89 XDH (0.41) XDHPDK2
SCHEMBL15538319 0.87 CNR2 (0.36) XDHPDK2
SCHEMBL20053621 0.86 XDH (0.37) XDH
SCHEMBL16803770 0.86 SPHK2 (0.44) PDK2
SCHEMBL15539138 0.85 XDH (0.47) XDH
SCHEMBL15539509 0.85 PDK2 (0.37) XDHPDK2
SCHEMBL16803854 0.85 PDK2 (0.42) KDM1APDK2

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