SCHEMBL7313605

SCHEMBL7313605

CN(Cc1ccccc1)C(=O)CCCOc1cccc2c1CN(CC(=O)OOc1ccccc1Cl)C(N)=N2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.40
PDE4B Q07343 15/20 0.40
PDE4C Q08493 15/20 0.40
PDE4D Q08499 15/20 0.40
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACKR3 P25106 1/20 0.36

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
SCHEMBL10649489 0.88 NPC1 (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7321069 0.86 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7308357 0.85 PDE3B (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7311174 0.85 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10665307 0.85 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10668460 0.82 PDE3B (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10668458 0.80 PDE3B (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7306426 0.80 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7318128 0.77 PDE3B (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7314675 0.76 PDE3B (0.47) PDE4APDE4BPDE4CPDE4DPDE3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4761416-A ENZYME INHIBITORS, INOTROPIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-02 US disclosed
US-4739056-A ENZYME INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-04-19 US disclosed