SCHEMBL6611448

SCHEMBL6611448

COc1cnc(CCl)cc1OC1CC2CCC1C2

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.53
PDE4A P27815 10/20 0.53
PDE4C Q08493 10/20 0.53
PDE4D Q08499 10/20 0.53
PDGFRB P09619 5/20 0.52
PDGFRA P16234 5/20 0.52
SCN9A Q15858 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL6609594 0.89 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDGFRB
SCHEMBL6607129 0.84 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DPDGFRB
SCHEMBL6612105 0.80 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DPDGFRB
SCHEMBL7358975 0.77 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDGFRB
SCHEMBL6606739 0.76 PDE4A (0.46) PDE4BPDE4APDE4CPDE4DPDGFRB
SCHEMBL27278144 0.74 ALDH1A1 (0.41)
SCHEMBL17303642 0.73 LNPEP (0.53) PDE4BPDE4APDE4CPDE4DPDGFRB
SCHEMBL21944491 0.73 LNPEP (0.53) PDE4BPDE4APDE4CPDE4DPDGFRB
Hydrochloric Acid SCHEMBL9687781 0.73 ALDH1A1 (0.43)
SCHEMBL6606836 0.71 PDE4D (0.46) PDE4BPDE4APDE4CPDE4D

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