SCHEMBL9799588

SCHEMBL9799588

CN1CCCCC1C(=O)ON1CCC(CO[N+](=O)[O-])CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL9799680 0.80 MAPT (0.33) MMP2MMP9
SCHEMBL9799808 0.79 ALDH1A1 (0.37) MMP2MMP9
SCHEMBL9799584 0.77 MAPT (0.34) MMP2MMP9
SCHEMBL9345022 0.68 POLB (0.38) FKBP1A
SCHEMBL9345631 0.68 MMP2 (0.34) MMP2MMP9
SCHEMBL9344131 0.67 SMN1; SMN2 (0.43) FKBP1A
SCHEMBL8957322 0.67 CCNA2 (0.41) MMP2MMP9
SCHEMBL4586677 0.66 MMP2 (0.35) MMP2MMP9
SCHEMBL2616299 0.66 FKBP1A (0.49) FKBP1A
SCHEMBL12886363 0.66 FKBP1A (0.49) FKBP1A

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
US-5030641-A Treatment of angina pectoris, hypotensive agents BOEHRINGER MANNHEIM GMBH (DE) 1991-07-09 US disclosed