SCHEMBL6439306

SCHEMBL6439306

CC(=O)N[C@H]1CC[C@H](O[N+](=O)[O-])CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.38
ATM Q13315 1/20 0.38
GSR P00390 6/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TLR4 O00206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX2 P34913 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CA2 P00918 1/20 0.32
KDM1A O60341 1/20 0.31

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
SCHEMBL6439317 1.00 BCHE (0.38) BCHEATMGSRALDH1A1KDM4E
SCHEMBL6439311 0.85 ATM (0.40) ATMALDH1A1KDM4ETLR4EPHX2
SCHEMBL9499598 0.82 BCHE (0.38) BCHEGSRALDH1A1SMN1; SMN2EPHX2
SCHEMBL9019581 0.81 ALDH1A1 (0.39) BCHEGSRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL9129652 0.81 ALDH1A1 (0.43) BCHEGSRALDH1A1SMN1; SMN2EPHX2
SCHEMBL9019599 0.81 ALDH1A1 (0.43) BCHEGSRALDH1A1SMN1; SMN2EPHX2
SCHEMBL9019559 0.80 BCHE (0.35) BCHEATMGSRKDM1A
SCHEMBL9019510 0.80 ALDH1A1 (0.42) BCHEATMGSRALDH1A1KDM4E
SCHEMBL9127243 0.80 BCHE (0.35) BCHEATMGSRKDM1A
SCHEMBL9019520 0.80 BCHE (0.41) BCHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050181066-A1 Novel use of guanylate cyclase activators for the treatment of respiratory insufficiency ALTANA PHARMA AG (DE) 2005-08-18 US claimed
EP-1501605-A1 NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY ALTANA Pharma AG (DE) 2005-02-02 EP claimed
WO-2003090870-A1 NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY ALTANA PHARMA AG (DE) 2003-11-06 WO claimed
US-20050181066-A1 Novel use of guanylate cyclase activators for the treatment of respiratory insufficiency ALTANA PHARMA AG (DE) 2005-08-18 US disclosed
EP-1501605-A1 NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY ALTANA Pharma AG (DE) 2005-02-02 EP disclosed
WO-2003090870-A1 NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY ALTANA PHARMA AG (DE) 2003-11-06 WO disclosed