SCHEMBL7309331

SCHEMBL7309331

O=C(CCCCCCOc1ccc(F)c2c1N=C1NC(=O)C(CO)N1C2)NC1CNCCO1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.35
PDE3A Q14432 5/20 0.35
SLC6A4 P31645 4/20 0.32
HTR2A P28223 2/20 0.32
SLC6A2 P23975 2/20 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
SCHEMBL7309327 0.83 PDE3B (0.38) PDE3BPDE3A
SCHEMBL7312027 0.81 PDE3B (0.55) PDE3BPDE3A
SCHEMBL7309323 0.81 PDE3B (0.33) PDE3BPDE3ASLC6A4HTR2A
SCHEMBL7313778 0.80 HTR2A (0.32) PDE3BPDE3ASLC6A4HTR2A
SCHEMBL7313153 0.79 PDE3B (0.57) PDE3BPDE3A
SCHEMBL7317957 0.70 SLC6A4 (0.34) SLC6A4HTR2ASLC6A2
SCHEMBL7309025 0.68 SLC6A4 (0.32) SLC6A4HTR2ASLC6A2
SCHEMBL7315018 0.67 REN (0.33) SLC6A4HTR2ASLC6A2
SCHEMBL7317551 0.67 PDE3B (0.55) PDE3BPDE3A
SCHEMBL7320606 0.67 PDE3B (0.37) 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