SCHEMBL7320196

SCHEMBL7320196

CC(O)c1ccc(Cl)c(OCCCCCC(C(N)=O)N2CCCCC2)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.34
SLC6A3 Q01959 6/20 0.34
SLC6A4 P31645 5/20 0.34
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL7313083 0.86 MAOB (0.35) SLC6A2SLC6A3SLC6A4ALDH1A1MEN1
SCHEMBL7315758 0.85 SLC6A2 (0.33) SLC6A2SLC6A3SLC6A4HRH3
SCHEMBL7320203 0.81 CNR1 (0.42) ALDH1A1HPGDNPSR1MCOLN3MEN1
SCHEMBL7312381 0.78 ALDH1A1 (0.38) SLC6A2SLC6A3SLC6A4ALDH1A1MEN1
SCHEMBL7314547 0.71 KDM4E (0.46) SLC6A2SLC6A3SLC6A4ALDH1A1MEN1
SCHEMBL7318298 0.70 KDM4E (0.45) SLC6A2SLC6A3SLC6A4ALDH1A1NPSR1
SCHEMBL7310612 0.70 ALDH1A1 (0.38) SLC6A2SLC6A3SLC6A4ALDH1A1MEN1
SCHEMBL7311756 0.69 ALDH1A1 (0.38) SLC6A2SLC6A3SLC6A4ALDH1A1MEN1
SCHEMBL7306817 0.69 ALDH1A1 (0.39) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL7313090 0.67 CNR1 (0.42) ALDH1A1MEN1KMT2APOLBL3MBTL1

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