SCHEMBL7306426

SCHEMBL7306426

CN(Cc1ccccc1)C(=O)CCCOc1cccc2c1N=C(N)N(CC(=O)Oc1ccccc1Cl)C2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.40
PDE4B Q07343 16/20 0.40
PDE4C Q08493 16/20 0.40
PDE4D Q08499 16/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACKR3 P25106 1/20 0.37

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
SCHEMBL10652213 0.88 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10649609 0.88 NPC1 (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7307661 0.87 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7313053 0.87 PDE3B (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7314019 0.87 PDE3B (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7303658 0.86 PDE3B (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7313872 0.86 PDE3B (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7312004 0.84 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10649640 0.81 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7313605 0.80 PDE4A (0.40) 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