SCHEMBL7307661

SCHEMBL7307661

CN(Cc1ccccc1)C(=O)CCCOc1cccc2c1N=C(N)N(CC(=O)Nc1ccccc1Cl)C2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.43
PDE4B Q07343 7/20 0.43
PDE4C Q08493 7/20 0.43
PDE4D Q08499 7/20 0.43
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
TSHR P16473 3/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
KCNA5 P22460 1/20 0.36
GAA P10253 1/20 0.36
ACKR3 P25106 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL7311655 0.89 PDE3B (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7321069 0.88 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7320179 0.88 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7317651 0.87 PDE3B (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10649640 0.87 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7306426 0.87 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7320125 0.85 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10652213 0.80 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7314019 0.79 PDE3B (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7313053 0.77 PDE3B (0.38) 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 3 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
EP-0254327-A2 N-N-disubstituted-omega-(2-amino-3-(carbonylmethyl)-3,4-dihydroquinazolinyl) oxyalkylamides and related compounds SYNTEX (U.S.A.) INC. (US) 1988-01-27 EP disclosed