SCHEMBL20053622

SCHEMBL20053622

CCC(F)(CC)CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCCC4)c(F)c3)cc2C#N)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
SLC6A9 P48067 3/20 0.39
MTOR P42345 4/20 0.39
KCNH2 Q12809 2/20 0.39
PIK3CA P42336 2/20 0.37
IKBKE Q14164 3/20 0.37
TBK1 Q9UHD2 3/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL15540099 0.92 PIK3CA (0.42) XDHMTORPIK3CA
SCHEMBL16777175 0.92 PIK3CA (0.42) XDHMTORPIK3CA
SCHEMBL20053539 0.92 XDH (0.42) XDHCYP11B1CYP11B2SLC6A9MTOR
SCHEMBL15559048 0.91 MTOR (0.41) XDHSLC6A9MTORKCNH2PIK3CA
SCHEMBL15559047 0.91 MTOR (0.41) XDHSLC6A9MTORKCNH2PIK3CA
SCHEMBL15538652 0.90 XDH (0.45) XDHKCNH2IKBKETBK1
SCHEMBL20053588 0.89 XDH (0.44) XDHCYP11B1CYP11B2IKBKETBK1
SCHEMBL16757795 0.89 XDH (0.42) XDHIKBKETBK1
SCHEMBL21043497 0.88 XDH (0.40) XDHIKBKETBK1
SCHEMBL16777195 0.88 PIK3CA (0.42) XDHMTORKCNH2PIK3CAIKBKE

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