SCHEMBL1727892

SCHEMBL1727892

CNC(CN(CC=O)C(=O)O)C1CCN(c2ccc3c(Cl)cccc3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
P2RX7 Q99572 11/20 0.37
MAPT P10636 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SMO Q99835 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR3A P46098 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL1727648 0.90 MAPT (0.34) P2RX7MAPTKDM4EALDH1A1HTR3A
SCHEMBL1727901 0.88 SETDB1 (0.38) MAPTHRH3KDM4EALDH1A1HCAR2
SCHEMBL1729592 0.88 PTGES (0.42) SMO
SCHEMBL1728165 0.87 KDM4E (0.45) HRH3KDM4EALDH1A1HTR3AHCAR2
SCHEMBL1729611 0.86 HTR1A (0.39) HTR1AP2RX7MAPTHRH3HTR3A
SCHEMBL1729370 0.86 HRH3 (0.43) P2RX7HRH3SMOKDM4EALDH1A1
SCHEMBL1728881 0.85 HCAR2 (0.36) MAPTSMOKDM4EALDH1A1HCAR2
SCHEMBL1727724 0.84 HSD11B1 (0.40) HRH3
SCHEMBL1729308 0.84 HRH3 (0.44) HTR1AHRH3HTR3A
SCHEMBL1730195 0.84 HCAR2 (0.46) MAPTALDH1A1HTR3AHCAR2

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