SCHEMBL20053539

SCHEMBL20053539

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
SLC6A9 P48067 3/20 0.40
KCNH2 Q12809 2/20 0.40
MTOR P42345 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
GPR119 Q8TDV5 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
SCHEMBL15537673 0.92 PIK3CA (0.41) XDHMTOR
SCHEMBL15539116 0.92 PIK3CA (0.41) XDHMTOR
SCHEMBL15537672 0.92 PIK3CA (0.41) XDHMTOR
SCHEMBL20053622 0.92 XDH (0.41) XDHCYP11B1CYP11B2SLC6A9KCNH2
SCHEMBL20053541 0.91 SLC6A9 (0.41) SLC6A9KCNH2MTORHRH3GPR119
SCHEMBL18849080 0.90 PIK3CA (0.40) XDHSLC6A9KCNH2MTORGPR119
SCHEMBL15539592 0.90 PIK3CA (0.40) XDHSLC6A9KCNH2MTORGPR119
SCHEMBL15539591 0.90 PIK3CA (0.40) XDHSLC6A9KCNH2MTORGPR119
SCHEMBL15539260 0.90 XDH (0.46) XDHIKBKETBK1
SCHEMBL21534990 0.89 XDH (0.46) XDHCYP11B1CYP11B2HRH3IKBKE

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