SCHEMBL1729362

SCHEMBL1729362

CNC(=O)CN(CCCN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
SMN1; SMN2 Q16637 7/20 0.53
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
MAPT P10636 5/20 0.51
LMNA P02545 4/20 0.51
NPSR1 Q6W5P4 2/20 0.50
HTT P42858 2/20 0.48
HSP90AA1 P07900 1/20 0.48
XBP1 P17861 1/20 0.48
CNR2 P34972 3/20 0.47
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
PKM P14618 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL1728824 0.80 POLB (0.67) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3266144 0.79 POLB (0.57) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1729003 0.76 PKM (0.48) ALDH1A1KMT2APKM
SCHEMBL1729364 0.75 KMT2A (0.50) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL14559593 0.72 POLB (0.67) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4166695 0.72 MEN1 (0.60) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1729366 0.71 MAPT (0.47) POLBALDH1A1MEN1KMT2AMAPT
Bromide SCHEMBL4174809 0.71 MEN1 (0.59) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3075661 0.71 CNR2 (0.67) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1727889 0.70 HTR2A (0.51) LMNA

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