SCHEMBL9329974

SCHEMBL9329974

CC(C)(CO[N+](=O)[O-])C(=O)NC1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 15/20 0.52
SSTR1 P30872 6/20 0.52
EPHX1 P07099 3/20 0.41
POLB P06746 1/20 0.38
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37

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
SCHEMBL9329945 0.82 SSTR4 (0.57) SSTR4SSTR1
SCHEMBL9346132 0.79 SSTR4 (0.43) SSTR4SSTR1
SCHEMBL9330440 0.78 EPHX1 (0.44) SSTR4SSTR1EPHX1POLBGNAI3
Fumaric Acid SCHEMBL9345641 0.76 SSTR4 (0.54) SSTR4SSTR1
SCHEMBL12334726 0.76 EPHX1 (0.52) SSTR4SSTR1EPHX1POLBGNAI3
SCHEMBL12308373 0.72 SSTR4 (0.48) SSTR4SSTR1EPHX1POLBGNAI3
SCHEMBL6697632 0.71 EPHX1 (0.59) SSTR4SSTR1EPHX1POLBGNAI3
SCHEMBL9799570 0.71 SSTR1 (0.37) SSTR4SSTR1EPHX1POLBGNAI3
SCHEMBL15447615 0.70 EPHX1 (0.57) SSTR4SSTR1EPHX1POLBGNAI3
SCHEMBL2015296 0.70 ALDH1A1 (0.46) POLB

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