SCHEMBL7309323

SCHEMBL7309323

NC(=O)C(CCCCCOc1ccc(F)c2c1N=C1NC(=O)C(CO)N1C2)C1CNCCO1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
HTR2A P28223 2/20 0.31
SLC6A4 P31645 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
SCHEMBL7309331 0.81 PDE3B (0.35) PDE3BPDE3AHTR2ASLC6A4
SCHEMBL7313755 0.81 HTR2A (0.31) PDE3BPDE3AHTR2ASLC6A4
SCHEMBL7313127 0.77 PDE3B (0.51) PDE3BPDE3A
SCHEMBL7309327 0.75 PDE3B (0.38) PDE3BPDE3A
SCHEMBL7317946 0.71 SLC6A4 (0.33) HTR2ASLC6A4
SCHEMBL7309010 0.69 SLC6A4 (0.33) HTR2ASLC6A4
SCHEMBL7315005 0.69 REN (0.33) HTR2ASLC6A4
SCHEMBL7321178 0.68 PDE3B (0.36) PDE3BPDE3A
SCHEMBL10374505 0.64 PDE3B (0.60) PDE3BPDE3A
SCHEMBL7320601 0.64 PDE3B (0.35) 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