SCHEMBL7315902

SCHEMBL7315902

CC(O)c1cccc(OCCCC(=O)N(C)CC2CC2)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.34
HTR1D P28221 1/20 0.34
HTR2B P41595 1/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
ACKR3 P25106 1/20 0.33
GAA P10253 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32

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
SCHEMBL7306586 0.84 LMNA (0.37) HTR7HTR1DHTR2BALDH1A1LMNA
SCHEMBL7311484 0.83 PDE3B (0.47) ALDH1A1KMT2AMEN1KDM4ECYP2C19
SCHEMBL7317786 0.83 ALDH1A1 (0.38) ALDH1A1LMNAL3MBTL1KMT2AMAPT
SCHEMBL10374675 0.81 PDE3B (0.39) HTR7HTR1DHTR2BALDH1A1LMNA
SCHEMBL10374677 0.79 PDE3B (0.39) HTR7HTR1DHTR2BL3MBTL1KMT2A
SCHEMBL7318978 0.76 PPARG (0.39) ALDH1A1LMNAL3MBTL1KMT2AMAPT
SCHEMBL7314747 0.76 SIGMAR1 (0.38) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL7303043 0.75 CASP6 (0.35) L3MBTL1
SCHEMBL7303038 0.73 PDE3B (0.36) HTR7HTR1DHTR2BL3MBTL1KMT2A
SCHEMBL7314783 0.73 CASP6 (0.35) ALDH1A1LMNAL3MBTL1KMT2AMAPT

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