SCHEMBL7355115

SCHEMBL7355115

COC(=O)C1(C)CN(Cc2ccccc2)CC1c1ccc(OC)c(OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.49
PDE4B Q07343 3/20 0.49
PDE4C Q08493 3/20 0.49
PDE4D Q08499 3/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PDCD1 Q15116 2/20 0.47
CD274 Q9NZQ7 2/20 0.47
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CSF1R P07333 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMPD1 P17405 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL7355122 1.00 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL5357871 0.91 NPC1 (0.49) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL5357875 0.91 NPC1 (0.49) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL14575533 0.91 NPC1 (0.49) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL7380651 0.87 PDE4B (0.66) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL7436899 0.86 PDE4B (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL5355688 0.83 MAPK1 (0.47) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL5349673 0.83 MAPK1 (0.47) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL5355685 0.83 MAPK1 (0.47) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL5355537 0.83 MAPK1 (0.47) PDE4APDE4BPDE4CPDE4DNPC1

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-6458787-B1 NOVEL PYRROLIDINE COMPOUNDS THAT ARE POTENT AND SELECTIVE INHIBITORS OF PDE4, AS WELL AS METHODS OF MAKING THE SAME, ARE DISCLOSED. USE OF THE COMPOUNDS IN THE TREATMENT OF INFLAMMATORY DISEASES AND OTHER DISEASES INVOLVING ELEVATED ICOS CORPORATION 2002-10-01 US disclosed
US-6258833-B1 ENZYME INHIBITORS AND ANTIINFLAMMATORY AGENTS ICOS CORPORATION 2001-07-10 US disclosed