SCHEMBL9799584

SCHEMBL9799584

CN1CCCCC1C(=O)O.O=[N+]([O-])OCC1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
F2R P25116 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 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
SCHEMBL9799676 0.79 GABRP (0.40) MMP2MMP9ITGB3ITGA2BF2R
SCHEMBL9799802 0.79 ITGB3 (0.40) MMP2MMP9ITGB3ITGA2BF2R
SCHEMBL9799588 0.77 FKBP1A (0.32) MMP2MMP9
SCHEMBL8260874 0.76 TDP1 (0.36) MMP2MMP9ALDH1A1
Nitric Acid SCHEMBL9344153 0.74 TDP1 (0.33) MMP2MMP9ALDH1A1
SCHEMBL58093 0.72 ACE (0.42) MAPTALDH1A1HTT
SCHEMBL53552 0.72 ACE (0.42) MAPTALDH1A1HTT
SCHEMBL2737878 0.72 ACE (0.42) MAPTALDH1A1HTT
SCHEMBL3290708 0.71 ACE (0.41) MAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL927104 0.71 ACE (0.41) MAPTALDH1A1HTT

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