SCHEMBL9501556

SCHEMBL9501556

CN(C)CCC(=O)NCCCO

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.61
NAAA Q02083 1/20 0.48
CNR1 P21554 2/20 0.45
CASP2 P42575 1/20 0.42
PAOX Q6QHF9 1/20 0.42
TSHR P16473 2/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL24412648 0.88 DNM1 (0.65) DNM1NAAACASP2PAOXTSHR
SCHEMBL4577306 0.88 DNM1 (0.55) DNM1NAAACNR1PAOXMEN1
SCHEMBL1527147 0.85 DNM1 (0.72) DNM1NAAACASP2PAOXTSHR
SCHEMBL14907185 0.84 DNM1 (0.71) DNM1NAAACNR1CASP2MEN1
SCHEMBL8956620 0.84 DNM1 (0.56) DNM1NAAACASP2PAOXTSHR
SCHEMBL8773743 0.83 DNM1 (0.76) DNM1NAAACASP2PAOXTSHR
SCHEMBL23899001 0.83 DNM1 (0.82) DNM1NAAACASP2PAOXTSHR
SCHEMBL12344052 0.82 DNM1 (0.74) DNM1NAAACASP2MEN1KMT2A
SCHEMBL9498400 0.82 DNM1 (0.71) DNM1NAAACNR1PAOXMEN1
SCHEMBL7137887 0.82 DNM1 (0.79) DNM1NAAAPAOXTSHRKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0367019-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING NITROXYALKYL AMINE WITH AN AMIDE FUNCTION, AND METHOD FOR THE PREPARATION OF THE COMPOUNDS Roche Diagnostics GmbH (DE) 1993-05-12 EP disclosed
US-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed
EP-0367019-A1 Pharmaceutical compositions containing nitroxyalkyl amine with an amide function, and method for the preparation of the compounds Roche Diagnostics GmbH (DE) 1990-05-09 EP disclosed