SCHEMBL7317822

SCHEMBL7317822

C=c1c(=O)[nH]c2n1Cc1cc(OCC(=O)N(C)C(c3ccccc3)c3ccccc3)ccc1N=2

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 14/20 0.57
PDE3A Q14432 14/20 0.57
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
BACE1 P56817 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
P2RY12 Q9H244 1/20 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
SCHEMBL7312151 0.91 PDE3B (0.68) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7303290 0.79 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7308217 0.79 PDE3B (0.68) PDE3BPDE3APDE4APDE4BPDE4C
Acetic Acid SCHEMBL7314774 0.76 PDE3B (0.66) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7317227 0.76 PDE3B (0.60) PDE3BPDE3A
SCHEMBL11983676 0.74 PDE3B (0.55) PDE3BPDE3A
SCHEMBL7318108 0.73 PDE3B (0.44) PDE3BPDE3A
SCHEMBL7319277 0.73 PDE3B (0.82) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7318394 0.73 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7317096 0.73 PDE3B (0.61) 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