SCHEMBL6609672

SCHEMBL6609672

COc1cnc(/C=C(/C#N)c2cccs2)cc1OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.44
QRFPR Q96P65 1/20 0.38
PDE4A P27815 14/20 0.37
PDE4D Q08499 8/20 0.37
PDE4C Q08493 7/20 0.37
PDE5A O76074 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL6609676 1.00 PDE4B (0.44) PDE4BQRFPRPDE4APDE4DPDE4C
SCHEMBL6609065 0.85 MAPT (0.44) PDE4BPDE4APDE4DPDE4CPDE5A
SCHEMBL6609067 0.85 MAPT (0.44) PDE4BPDE4APDE4DPDE4CPDE5A
SCHEMBL8770151 0.83 PDE4B (0.50) PDE4BQRFPRPDE4APDE4DPDE4C
SCHEMBL1389103 0.83 PDE4B (0.50) PDE4BQRFPRPDE4APDE4DPDE4C
SCHEMBL1389104 0.83 PDE4B (0.50) PDE4BQRFPRPDE4APDE4DPDE4C
SCHEMBL6608648 0.81 NPC1 (0.47) PDE4BPDE4APDE4DPDE4C
SCHEMBL6608643 0.81 NPC1 (0.47) PDE4BPDE4APDE4DPDE4C
SCHEMBL6605351 0.80 RECQL (0.54) PDE4BPDE4APDE4DPDE4C
SCHEMBL6605357 0.80 RECQL (0.54) PDE4BPDE4APDE4DPDE4C

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
EP-0882714-B1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS PHARMACEUTICAL CO (JP) 2004-03-03 EP disclosed
US-5935977-A PHOSPHODIESTERASE IV INHIBITORS, TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORS; TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed