SCHEMBL7312004

SCHEMBL7312004

CN(C)c1ccccc1OC(=O)CN1Cc2cccc(OCCCC(=O)N(Cc3ccccc3)Cc3ccccc3)c2N=C1N

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.40
PDE4B Q07343 18/20 0.40
PDE4C Q08493 18/20 0.40
PDE4D Q08499 18/20 0.40
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7316080 0.88 PDE3B (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7320125 0.87 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310529 0.87 PDE3B (0.35) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7316529 0.86 PDE3B (0.35) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7318132 0.86 NPC1 (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7306426 0.84 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10648197 0.82 PDE3B (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7320121 0.82 PDE3B (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10652213 0.82 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10665307 0.81 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 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