SCHEMBL7321069

SCHEMBL7321069

CN(Cc1ccccc1)C(=O)CCCOc1cccc2c1CN(CC(=O)Nc1ccccc1Cl)C(N)=N2

nearest known ligand 0.43

Predicted protein targets (top 15)

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 2/20 0.39
PDE3A Q14432 2/20 0.39
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNA5 P22460 1/20 0.36
GAA P10253 1/20 0.36
ACKR3 P25106 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL7307661 0.88 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7320482 0.86 NPC1 (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7313605 0.86 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7312230 0.85 KMT2A (0.39) PDE3BPDE3ATSHRMEN1MAPT
SCHEMBL7309234 0.85 PDE3B (0.35) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7313145 0.85 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10668460 0.82 PDE3B (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10665307 0.81 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10668458 0.80 PDE3B (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7311655 0.79 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