SCHEMBL7315018

SCHEMBL7315018

CC(O)c1c(F)ccc(OCCCCCCC(=O)NC2CNCCO2)c1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.33
SLC6A4 P31645 7/20 0.32
SLC6A2 P23975 5/20 0.32
HTR2A P28223 2/20 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
SCHEMBL7309025 0.87 SLC6A4 (0.32) RENSLC6A4SLC6A2HTR2A
SCHEMBL7317957 0.85 SLC6A4 (0.34) SLC6A4SLC6A2HTR2A
SCHEMBL7315005 0.80 REN (0.33) RENSLC6A4SLC6A2HTR2A
SCHEMBL7315012 0.79 KMT2A (0.40)
SCHEMBL7310463 0.76 SIRT3 (0.39) REN
SCHEMBL7319186 0.69 HPGD (0.36) REN
SCHEMBL7317910 0.68 MAPT (0.37) REN
SCHEMBL7313778 0.68 HTR2A (0.32) SLC6A4HTR2A
SCHEMBL7309010 0.68 SLC6A4 (0.33) RENSLC6A4SLC6A2HTR2A
SCHEMBL7309331 0.67 PDE3B (0.35) SLC6A4SLC6A2HTR2A

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