SCHEMBL1727887

SCHEMBL1727887

N#Cc1cccnc1N1CCC(CCNC(=O)O)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.60
▸ RECQL P46063 1/20 0.60
▸ LDHA P00338 1/20 0.55
▸ CHRM4 P08173 3/20 0.50
▸ MALT1 Q9UDY8 1/20 0.48
▸ HSD11B1 P28845 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HDAC2 Q92769 1/20 0.46
▸ PANK3 Q9H999 1/20 0.45
▸ ACKR3 P25106 1/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ DRD4 P21917 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
SCHEMBL1727869 0.89 KDM4E (0.62) KDM4ERECQLLDHAMALT1HSD11B1
SCHEMBL3269140 0.84 KDM4E (0.57) KDM4ERECQLLDHACHRM4MALT1
SCHEMBL1730153 0.83 CHRM4 (0.52) CHRM4MALT1DRD2
SCHEMBL1730203 0.83 CHRM4 (0.51) CHRM4MALT1
SCHEMBL13622633 0.82 KDM4E (0.66) KDM4ERECQLLDHAMALT1HSD11B1
SCHEMBL5220690 0.80 KDM4E (0.66) KDM4ERECQLLDHAMALT1HSD11B1
SCHEMBL1728967 0.80 NSD2 (0.47) CHRM4DRD2
Trifluoroacetic Acid SCHEMBL1023728 0.79 KDM4E (0.58) KDM4ERECQLLDHAMALT1HSD11B1
SCHEMBL3110161 0.78 KDM4E (0.79) KDM4ERECQLLDHAMALT1HSD11B1
SCHEMBL1728813 0.77 SIRT2 (0.51) CHRM4MALT1DRD2DRD4

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
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