SCHEMBL1729611

SCHEMBL1729611

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
P2RX7 Q99572 11/20 0.35
HTR3A P46098 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SETDB1 Q15047 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 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
SCHEMBL1728232 0.87 PTGES (0.41) HTR3ALMNAHTT
SCHEMBL1727957 0.87 KDM4E (0.45) HTR1AHTR3AHRH3LMNAHTT
SCHEMBL1727892 0.86 HTR1A (0.39) HTR1AP2RX7HTR3AHRH3MAPT
SCHEMBL1730418 0.84 HRH3 (0.45) HTR1AP2RX7HTR3AHRH3
SCHEMBL1727926 0.83 HRH3 (0.46) HTR1AHTR3AHRH3LMNA
SCHEMBL1729040 0.83 HCAR2 (0.46) HTR3AMAPTLMNAHTT
SCHEMBL1727545 0.82 GRIN2D (0.36) HTR3AHRH3
SCHEMBL1727570 0.80 CNR1 (0.39) HTR1A
SCHEMBL1730161 0.80 DEGS1 (0.43) HTR1AMAPT
SCHEMBL1729221 0.78 HRH3 (0.48) HRH3MAPTHTT

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