SCHEMBL20053588

SCHEMBL20053588

CCC(F)(CC)CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2C#N)CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.44
HRH3 Q9Y5N1 4/20 0.41
TBK1 Q9UHD2 5/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
IKBKE Q14164 3/20 0.39

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
SCHEMBL21534990 0.91 XDH (0.46) XDHHRH3TBK1CYP11B1CYP11B2
SCHEMBL20053638 0.91 XDH (0.47) XDHHRH3TBK1CYP11B1CYP11B2
SCHEMBL15538882 0.90 XDH (0.42) XDHHRH3TBK1IKBKE
SCHEMBL15538885 0.90 XDH (0.42) XDHHRH3TBK1IKBKE
SCHEMBL15538323 0.90 XDH (0.52) XDHTBK1IKBKE
SCHEMBL20053622 0.89 XDH (0.41) XDHHRH3TBK1CYP11B1CYP11B2
SCHEMBL16777030 0.88 XDH (0.44) XDHTBK1IKBKE
SCHEMBL16777238 0.87 POLB (0.43) XDHTBK1IKBKE
SCHEMBL15538694 0.87 POLB (0.43) XDHTBK1IKBKE
SCHEMBL20053586 0.86 XDH (0.41) 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