SCHEMBL7313778

SCHEMBL7313778

C=c1c(=O)[nH]c2n1Cc1c(F)ccc(OCCCCCCC(=O)NC3CNCCO3)c1N=2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.32
SLC6A4 P31645 2/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 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
SCHEMBL7313755 0.81 HTR2A (0.31) HTR2ASLC6A4PDE3BPDE3A
SCHEMBL7309331 0.80 PDE3B (0.35) HTR2ASLC6A4PDE3BPDE3A
SCHEMBL7304518 0.78 PDE3B (0.54) PDE3BPDE3A
SCHEMBL7307795 0.76 PDE3B (0.57) PDE3BPDE3A
SCHEMBL7317957 0.70 SLC6A4 (0.34) HTR2ASLC6A4
SCHEMBL7309025 0.69 SLC6A4 (0.32) HTR2ASLC6A4
SCHEMBL7315018 0.68 REN (0.33) HTR2ASLC6A4
SCHEMBL7316993 0.66 MAPT (0.34) PDE3BPDE3A
SCHEMBL7312727 0.64 PDE3B (0.48) PDE3BPDE3A
SCHEMBL7312027 0.64 PDE3B (0.55) PDE3BPDE3A

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