SCHEMBL7315005

SCHEMBL7315005

CC(O)c1c(F)ccc(OCCCCCC(C(N)=O)C2CNCCO2)c1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.33
SLC6A4 P31645 9/20 0.32
SLC6A2 P23975 8/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR2A P28223 2/20 0.31
SLC6A3 Q01959 3/20 0.30
HRH1 P35367 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
SCHEMBL7309010 0.88 SLC6A4 (0.33) RENSLC6A4SLC6A2L3MBTL1HTR2A
SCHEMBL7317946 0.86 SLC6A4 (0.33) RENSLC6A4SLC6A2HTR2ASLC6A3
SCHEMBL7315018 0.80 REN (0.33) RENSLC6A4SLC6A2HTR2A
SCHEMBL7316010 0.71 ALDH1A1 (0.36) RENSLC6A4SLC6A2SLC6A3
SCHEMBL7315012 0.70 KMT2A (0.40)
SCHEMBL7313755 0.69 HTR2A (0.31) SLC6A4HTR2A
SCHEMBL7309323 0.69 PDE3B (0.33) SLC6A4HTR2A
SCHEMBL7317889 0.67 ALDH1A1 (0.36) REN
SCHEMBL7309025 0.67 SLC6A4 (0.32) RENSLC6A4SLC6A2HTR2A
SCHEMBL7320149 0.65 ALDH1A1 (0.35) REN

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