SCHEMBL1728933

SCHEMBL1728933

O=C(O)NCCC1CCN(c2cnccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.54
POLB P06746 1/20 0.51
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
GPR119 Q8TDV5 1/20 0.48
MAPT P10636 1/20 0.47
CHRM4 P08173 1/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL1727741 0.82 CHRM4 (0.56) KDM4EGPR119CHRM4THRBALDH1A1
SCHEMBL3270012 0.82 KDM4E (0.49) KDM4EPOLBTP53RXFP1GPR119
SCHEMBL1729244 0.81 CHRM4 (0.40) CHRM4
SCHEMBL13622622 0.80 KDM4E (0.57) KDM4EPOLBTP53L3MBTL1RXFP1
SCHEMBL1728839 0.79 CHRM4 (0.52) GPR119MAPTCHRM4ALDH1A1
SCHEMBL345057 0.78 CHRM4 (0.57) CHRM4
SCHEMBL1728730 0.78 MAOA (0.55) KDM4EGPR119MAPTCHRM4
SCHEMBL4718806 0.77 BDKRB1 (0.52) CHRM4
SCHEMBL1729606 0.77 CHRM4 (0.57) CHRM4
SCHEMBL1728821 0.77 CHRM4 (0.68) KDM4EMAPTCHRM4ALDH1A1

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