SCHEMBL9344165

SCHEMBL9344165

CN(C)CCC(=O)ON1CCC(CCO[N+](=O)[O-])CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL9344314 0.88 MMP2 (0.34) MMP2MMP9
SCHEMBL9349025 0.81 MMP2 (0.36) MMP2MMP9
SCHEMBL9348788 0.79 MMP2 (0.34) MMP2MMP9
SCHEMBL9345631 0.75 MMP2 (0.34) MMP2MMP9
SCHEMBL9344161 0.74 ITGB3 (0.43)
SCHEMBL14394506 0.73 GNAI3 (0.46)
SCHEMBL9344174 0.72 MMP2 (0.36) MMP2MMP9
SCHEMBL9330359 0.72 MMP2 (0.38) MMP2MMP9
SCHEMBL2803178 0.72 MMP2 (0.38) MMP2MMP9
SCHEMBL9330370 0.71 MMP2 (0.41) MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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