SCHEMBL4722930

SCHEMBL4722930

COc1cc(OC)cc(-c2nn(-c3cc(N4CCC(CO)C4)ccc3C(F)(F)F)c(=O)c3c2CCC3)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
UGCG Q16739 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SYK P43405 11/20 0.34
NOTUM Q6P988 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
F10 P00742 2/20 0.33
F2 P00734 1/20 0.33
CXCR3 P49682 1/20 0.32

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
SCHEMBL4719850 0.94 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DUGCG
SCHEMBL14101717 0.92 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DUGCG
SCHEMBL4723325 0.90 NOTUM (0.36) PDE4APDE4BPDE4CPDE4DUGCG
SCHEMBL4722947 0.90 MAPT (0.39) UGCGKDM4EALDH1A1GAAMAPT
SCHEMBL4722304 0.90 NOTUM (0.36) PDE4APDE4BPDE4CPDE4DUGCG
SCHEMBL4722182 0.90 NOTUM (0.36) PDE4APDE4BPDE4CPDE4DUGCG
SCHEMBL4719498 0.90 P2RX7 (0.38) PDE4APDE4BPDE4CPDE4DUGCG
SCHEMBL4724695 0.90 P2RX7 (0.38) PDE4APDE4BPDE4CPDE4DUGCG
SCHEMBL4719501 0.90 P2RX7 (0.38) PDE4APDE4BPDE4CPDE4DUGCG
SCHEMBL4724510 0.88 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DUGCG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed