SCHEMBL7312798

SCHEMBL7312798

C=c1c(=O)[nH]c2n1Cc1ccc(Cl)c(OCCCCC(=O)N(C)c3ccccc3)c1N=2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.44
PDE3A Q14432 4/20 0.44
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
P2RY12 Q9H244 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DRD4 P21917 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7312432 0.81 PDE3B (0.45) PDE3BPDE3AALDH1A1KDM4ELMNA
SCHEMBL7308217 0.80 PDE3B (0.68) PDE3BPDE3AP2RY12
SCHEMBL7320355 0.78 PDE3B (0.40) PDE3BPDE3A
SCHEMBL7303290 0.77 PDE3B (0.71) PDE3BPDE3AP2RY12
SCHEMBL7317488 0.77 PDE3B (0.47) PDE3BPDE3A
SCHEMBL7313037 0.75 PDE3B (0.46) PDE3BPDE3AALDH1A1KDM4ELMNA
SCHEMBL7320483 0.74 PDE3B (0.46) PDE3BPDE3A
SCHEMBL7307703 0.74 PDE3B (0.45) PDE3BPDE3A
SCHEMBL7320488 0.74 PDE3B (0.45) PDE3BPDE3AALDH1A1MEN1KMT2A
SCHEMBL7312743 0.74 PDE3B (0.63) PDE3BPDE3AP2RY12

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