SCHEMBL20053654

SCHEMBL20053654

CC(C)(F)CN1CCC(CNc2ccc(-c3ccc(C(=O)N4CCCC4)c(F)c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CHRM4 P08173 2/20 0.41
CHRM2 P08172 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
SSTR5 P35346 1/20 0.39
EPHX2 P34913 2/20 0.38
NR3C1 P04150 3/20 0.38
CPS1 P31327 1/20 0.38
IKBKB O14920 1/20 0.37
MTOR P42345 5/20 0.37
PIK3CA P42336 4/20 0.37
WNT1 P04628 2/20 0.36
DYRK1A Q13627 2/20 0.36
GSK3B P49841 1/20 0.36
PREP P48147 1/20 0.36

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
SCHEMBL16803881 0.89 PARP1 (0.38) CHRM4MTORPIK3CA
SCHEMBL21535109 0.89 CHRM4 (0.37) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL15537666 0.89 CHRM4 (0.47) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL21534964 0.85 HRH3 (0.43) HRH3SSTR5
SCHEMBL16803776 0.85 PREP (0.40) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL15539844 0.84 SSTR5 (0.44) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL20053607 0.83 GPR119 (0.44) KCNH2HRH3CHRM2CHRM5CHRM1
SCHEMBL20053541 0.81 SLC6A9 (0.41) KCNH2HRH3CHRM4CHRM2CHRM5
SCHEMBL21535011 0.80 HTR2A (0.48) KCNH2HRH3CHRM4CHRM2CHRM5
SCHEMBL21534921 0.79 DYRK1A (0.43) KCNH2HRH3CHRM4NR3C1MTOR

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