SCHEMBL6605575

SCHEMBL6605575

COc1cnc(CC#N)cc1OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.44
PDE4A P27815 9/20 0.44
PDE4D Q08499 7/20 0.44
PDE4C Q08493 6/20 0.44
PDGFRB P09619 3/20 0.43
PDGFRA P16234 3/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL6605813 0.88 POLB (0.44) PDE4BPDE4APDE4DPDE4CPDGFRB
SCHEMBL6609750 0.84 PDE4B (0.44) PDE4BPDE4APDE4DPDE4C
SCHEMBL72368 0.83 PDE4A (0.50) PDE4BPDE4APDE4DPDE4CPDGFRB
SCHEMBL6606602 0.82 PDE4B (0.44) PDE4BPDE4APDE4DPDE4CMEN1
SCHEMBL6606739 0.82 PDE4A (0.46) PDE4BPDE4APDE4DPDE4CPDGFRB
SCHEMBL7148127 0.80 PDE4A (0.47) PDE4BPDE4APDE4DPDE4CPDGFRB
SCHEMBL6607129 0.78 PDE4B (0.50) PDE4BPDE4APDE4DPDE4CPDGFRB
SCHEMBL6606569 0.76 PDE4B (0.50) PDE4BPDE4APDE4DPDE4C
SCHEMBL6607038 0.76 PDGFRB (0.43) PDE4BPDE4APDE4DPDE4CPDGFRB
SCHEMBL6608302 0.76 KDM4E (0.36) MEN1KMT2AMAPTLMNA

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