SCHEMBL7310014

SCHEMBL7310014

CCCCCCN(C(=O)CCCCCCOc1cc(Cl)c2c(c1)CN1C(=N2)NC(=O)C1CO)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 16/20 0.47
PDE3A Q14432 16/20 0.47
NPC1 O15118 1/20 0.37
JAK2 O60674 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
THRB P10828 2/20 0.35

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
SCHEMBL7307703 0.80 PDE3B (0.45) PDE3BPDE3ANPC1JAK2RAB9A
SCHEMBL7311995 0.79 PDE3B (0.71) PDE3BPDE3A
SCHEMBL7317488 0.76 PDE3B (0.47) PDE3BPDE3A
SCHEMBL7309559 0.75 PDE3B (0.52) PDE3BPDE3A
SCHEMBL7307753 0.75 PDE3B (0.48) PDE3BPDE3A
SCHEMBL7310848 0.75 PDE3B (0.52) PDE3BPDE3A
SCHEMBL7316912 0.75 PDE3B (0.63) PDE3BPDE3A
SCHEMBL7318780 0.74 PDE3B (0.69) PDE3BPDE3A
SCHEMBL7312198 0.73 PDE3B (0.44) PDE3BPDE3ANPC1RAB9ATHRB
SCHEMBL7317765 0.73 PDE3B (0.73) 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