SCHEMBL7320758

SCHEMBL7320758

CNC(=O)C(CCCCCOc1ccc(C(C)=O)c([N+](=O)[O-])c1)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.39
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.36
HTR6 P50406 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 2/20 0.35

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
SCHEMBL7307614 0.87 KDM4E (0.37) KDM4EALDH1A1MAPTTDP1GAA
SCHEMBL7311430 0.87 KDM4E (0.37) KDM4EALDH1A1MAPTTDP1GAA
SCHEMBL10377209 0.78 KDM4E (0.39) KDM4EALDH1A1MAPTTDP1GAA
SCHEMBL7320743 0.74 MAOB (0.38) MAOBKDM4EALDH1A1MAOA
SCHEMBL7320749 0.73 MAOB (0.39) MAOBKDM4EMAOA
SCHEMBL7320282 0.69 PDE3B (0.53)
SCHEMBL7317560 0.68 PDE3B (0.56)
SCHEMBL12897966 0.68 MAPT (0.57) KDM4EALDH1A1MAPTTDP1GAA
SCHEMBL7318453 0.67 KDM4E (0.46) MAOBKDM4EALDH1A1MAPT
SCHEMBL7307151 0.66 KDM4E (0.47) MAOBKDM4EALDH1A1MAPT

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