SCHEMBL7320749

SCHEMBL7320749

CC(=O)c1ccc(OCCCCCCC(=O)NC2CNCCN2C)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.39
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.37
CNR2 P34972 4/20 0.36
CNR1 P21554 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MAOA P21397 2/20 0.36

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
SCHEMBL7311424 0.87 LMNA (0.37) LMNACNR2CNR1KDM4E
SCHEMBL7307610 0.87 SIRT3 (0.38) LMNACNR2CNR1KDM4E
SCHEMBL7320743 0.84 MAOB (0.38) MAOBLMNATHRBKDM4EMAOA
SCHEMBL10377207 0.82 LMNA (0.40) LMNAKDM4E
SCHEMBL7320758 0.73 MAOB (0.39) MAOBKDM4EMAOA
SCHEMBL7317910 0.71 MAPT (0.37) LMNAKDM4E
SCHEMBL7311419 0.71 ALDH1A1 (0.35) LMNAKDM4E
SCHEMBL7307607 0.71 LMNA (0.36) LMNACNR2CNR1KDM4E
SCHEMBL7320269 0.70 PDE3B (0.55)
SCHEMBL7317551 0.69 PDE3B (0.55)

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-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed