SCHEMBL9329935

SCHEMBL9329935

CC(O[N+](=O)[O-])C(=O)NC1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.40
FPR2 P25090 1/20 0.37
HPGD P15428 1/20 0.35
SSTR4 P31391 2/20 0.34
P2RX4 Q99571 1/20 0.34
HSP90AA1 P07900 2/20 0.34
USP7 Q93009 1/20 0.34
USP47 Q96K76 1/20 0.34
HSP90AB1 P08238 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL9333374 0.81 EPHX1 (0.44) HPGD
SCHEMBL9891797 0.76 KDM4E (0.51) KDM4EFPR2P2RX4ALDH1A1
SCHEMBL18389999 0.74 KDM4E (0.50) KDM4EFPR2SSTR4P2RX4ALDH1A1
SCHEMBL21835882 0.73 KDM4E (0.49) KDM4EFPR2SSTR4P2RX4ALDH1A1
SCHEMBL13321380 0.73 KDM4E (0.49) KDM4EFPR2SSTR4P2RX4ALDH1A1
SCHEMBL9799578 0.71 EPHX1 (0.35) SSTR4
SCHEMBL9329832 0.71 SSTR4 (0.45) SSTR4
SCHEMBL10098777 0.70 CHRNB4 (0.54) KDM4EFPR2HTR2A
SCHEMBL3542566 0.70 HPGD (0.52) PKMLMNAHPGDALDH1A1
SCHEMBL9344169 0.69 TSHR (0.39) PKMLMNAUSP7USP47ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0366004-B1 Cyclic azaaliphatic compounds with a nitroxy group, process for their preparation and pharmaceutical compositions thereof BOEHRINGER MANNHEIM GMBH (DE) 1994-03-30 EP disclosed
US-5280031-A Cyclic azaaliphatic compounds with a nitroxy function, processes for the preparation thereof and pharmaceutical compositions containing them BOEHRINGER MANNHEIM GMBH (DE) 1994-01-18 US disclosed
US-5030641-A Treatment of angina pectoris, hypotensive agents BOEHRINGER MANNHEIM GMBH (DE) 1991-07-09 US disclosed
EP-0366004-A1 Cyclic azaaliphatic compounds with a nitroxy group, process for their preparation and pharmaceutical compositions thereof Roche Diagnostics GmbH (DE) 1990-05-02 EP disclosed