SCHEMBL1729679

SCHEMBL1729679

N#Cc1ccc(N2CCC(CN(CC(N)=O)C(=O)O)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.48
DPP4 P27487 2/20 0.47
PANK3 Q9H999 3/20 0.46
JAK2 O60674 6/20 0.45
JAK3 P52333 6/20 0.45
JAK1 P23458 5/20 0.45
KCNH2 Q12809 5/20 0.45
GPR119 Q8TDV5 1/20 0.44
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
CHRM2 P08172 2/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
SMO Q99835 1/20 0.41

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
SCHEMBL1727687 0.84 PDE10A (0.43) CHRM4PANK3
SCHEMBL1730318 0.84 HRH3 (0.43) PANK3GPR119
SCHEMBL1728906 0.84 DEGS1 (0.48) KCNH2GPR119
SCHEMBL30549291 0.82 PANK3 (0.53) CHRM4DPP4PANK3JAK2JAK3
SCHEMBL2225824 0.82 PANK3 (0.53) CHRM4DPP4PANK3JAK2JAK3
SCHEMBL1729359 0.82 KDM1A (0.45)
SCHEMBL1729795 0.81 LMNA (0.60) CHRM4DPP4JAK2JAK3DPP8
SCHEMBL1727662 0.80 HTR1A (0.43) CHRM4KCNH2
SCHEMBL13622620 0.79 KCNH2 (0.55) CHRM4DPP4PANK3JAK2JAK3
SCHEMBL1729166 0.77 LMNA (0.39)

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
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed