SCHEMBL7311174

SCHEMBL7311174

CN(C)c1ccccc1OOC(=O)CN1Cc2c(cccc2OCCCC(=O)N(Cc2ccccc2)Cc2ccccc2)N=C1N

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.40
PDE4B Q07343 17/20 0.40
PDE4C Q08493 17/20 0.40
PDE4D Q08499 17/20 0.40
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL10649438 0.88 PDE4A (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL10665307 0.86 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7313145 0.86 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7320575 0.85 PDE3B (0.34) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7313605 0.85 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10668460 0.82 PDE3B (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7313141 0.81 PDE3B (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7312004 0.80 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7312876 0.79 PDE3B (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7317951 0.78 PDE3B (0.35) 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