SCHEMBL7309010

SCHEMBL7309010

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.33
SLC6A2 P23975 8/20 0.33
REN P00797 6/20 0.32
HTR2A P28223 2/20 0.31
SLC6A3 Q01959 3/20 0.31
HRH1 P35367 1/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL7315005 0.88 REN (0.33) SLC6A4SLC6A2RENHTR2ASLC6A3
SCHEMBL7317946 0.87 SLC6A4 (0.33) SLC6A4SLC6A2RENHTR2ASLC6A3
SCHEMBL7309025 0.79 SLC6A4 (0.32) SLC6A4SLC6A2RENHTR2A
SCHEMBL7317889 0.71 ALDH1A1 (0.36) RENKDM4E
SCHEMBL7313755 0.70 HTR2A (0.31) SLC6A4HTR2A
SCHEMBL7309323 0.69 PDE3B (0.33) SLC6A4HTR2A
SCHEMBL7315018 0.68 REN (0.33) SLC6A4SLC6A2RENHTR2A
SCHEMBL7309017 0.67 KMT2A (0.41) HTR2AKDM4EPOLB
SCHEMBL7316010 0.67 ALDH1A1 (0.36) SLC6A4SLC6A2RENSLC6A3KDM4E
SCHEMBL7320149 0.66 ALDH1A1 (0.35) RENKDM4E

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