SCHEMBL1730203

SCHEMBL1730203

O=C(O)NCCC1CCN(c2ncccc2Br)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 6/20 0.51
NSD2 O96028 4/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
MALT1 Q9UDY8 2/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL1728655 0.88 MALT1 (0.45) CHRM4MALT1KMT2A
SCHEMBL1730153 0.84 CHRM4 (0.52) CHRM4NSD2SIRT2SIRT1SIRT3
SCHEMBL3266163 0.83 SIRT2 (0.44) CHRM4NSD2SIRT2SIRT1SIRT3
SCHEMBL1727887 0.83 KDM4E (0.60) CHRM4MALT1
SCHEMBL1728967 0.80 NSD2 (0.47) CHRM4NSD2
SCHEMBL1728813 0.80 SIRT2 (0.51) CHRM4SIRT2SIRT1SIRT3MALT1
SCHEMBL1727741 0.79 CHRM4 (0.56) CHRM4
SCHEMBL1728915 0.79 KMT2A (0.50) MALT1KMT2A
SCHEMBL1727503 0.77 DRD2 (0.56) SIRT2SIRT1SIRT3
SCHEMBL4879872 0.77 KDM4E (0.60) MALT1KMT2A

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