SCHEMBL7356403

SCHEMBL7356403

COc1cc2c(cc1OC)[C@H]1CN(C)CC[C@H]1N=C2c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.86
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
GHSR Q92847 2/20 0.45
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
NPY5R Q15761 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NOD2 Q9HC29 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CA2 P00918 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1F P30939 1/20 0.38
HTR1D P28221 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
KIT P10721 2/20 0.37

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
SCHEMBL7356412 1.00 PDE4D (0.86) PDE4DPDE4APDE4BPDE4CGHSR
SCHEMBL8326810 0.92 PDE4D (0.87) PDE4DPDE4APDE4BPDE4CLMNA
Tolafentrine SCHEMBL159331 0.92 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CGHSR
Tolafentrine SCHEMBL4450984 0.92 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CGHSR
Tolafentrine SCHEMBL8326829 0.92 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CGHSR
Tolafentrine SCHEMBL29992625 0.92 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CGHSR
SCHEMBL8326816 0.92 PDE4D (0.87) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL11843430 0.88 PDE4D (0.64) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL11843423 0.88 PDE4D (0.64) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL7210124 0.87 PDE4D (0.89) PDE4DPDE4APDE4BPDE4CGHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528922-B1 NEW SULFONYL COMPOUNDS BYK GULDEN LOMBERG CHEM FAB (DE) 1999-06-16 EP disclosed
US-5346904-A BRONCHODILATOR AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1994-09-13 US disclosed
EP-0528922-A1 NEW SULFONYL COMPOUNDS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1993-03-03 EP disclosed
WO-1991017991-A1 NEW SULFONYL COMPOUNDS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1991-11-28 WO disclosed