SCHEMBL1728824

SCHEMBL1728824

O=C(O)NCCCN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
SMN1; SMN2 Q16637 7/20 0.58
ALDH1A1 P00352 5/20 0.58
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
MAPT P10636 6/20 0.58
NPSR1 Q6W5P4 2/20 0.58
HTT P42858 2/20 0.57
HSP90AA1 P07900 1/20 0.57
XBP1 P17861 1/20 0.57
LMNA P02545 3/20 0.53
CNR2 P34972 2/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PKM P14618 1/20 0.51
CHRM4 P08173 1/20 0.51
RECQL P46063 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL14559593 0.84 POLB (0.67) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3266144 0.84 POLB (0.57) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1729362 0.80 POLB (0.54) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4166695 0.78 MEN1 (0.60) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
Bromide SCHEMBL4174809 0.77 MEN1 (0.59) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3075661 0.77 CNR2 (0.67) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3211123 0.75 POLB (0.68) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL22638190 0.74 CXCR3 (0.51) POLBMEN1KMT2AMAPTHTT
SCHEMBL3211120 0.74 SMN1; SMN2 (0.77) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9105524 0.74 POLB (0.75) POLBSMN1; SMN2ALDH1A1MEN1KMT2A

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