SCHEMBL1729059

SCHEMBL1729059

NC(CN(CC=O)C(=O)O)C1CCN(c2ccc(-c3ccc(Cl)cc3)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.41
KCNH2 Q12809 4/20 0.41
ADORA2A P29274 2/20 0.40
MGLL Q99685 2/20 0.39
EGLN1 Q9GZT9 1/20 0.38
DEGS1 O15121 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
AOC3 Q16853 1/20 0.37
CNR2 P34972 2/20 0.36
MCHR1 Q99705 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1730161 0.92 DEGS1 (0.43) DGAT1KCNH2DEGS1KDM4EMAPT
SCHEMBL1727604 0.91 HTR1A (0.41) DGAT1KCNH2ADORA2AMCHR1L3MBTL1
SCHEMBL1727558 0.86 KCNH2 (0.40) DGAT1KCNH2ADORA2AMGLLEGLN1
SCHEMBL1729151 0.85 MGLL (0.42) DGAT1KCNH2ADORA2AMGLLEGLN1
SCHEMBL1730188 0.84 AKR1C3 (0.39) DEGS1KDM4EL3MBTL1
SCHEMBL1727973 0.83 HRH3 (0.44) MAPT
SCHEMBL1729687 0.82 LMNA (0.53) KDM4EMAPTL3MBTL1
SCHEMBL1730418 0.81 HRH3 (0.45) DGAT1KCNH2ADORA2AKDM4E
SCHEMBL1727913 0.81 HRH3 (0.38) MAPTAOC3
SCHEMBL1727926 0.80 HRH3 (0.46) DGAT1KCNH2ADORA2AMCHR1

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