SCHEMBL6606617

SCHEMBL6606617

COc1cnc(C(C#N)=Cc2c(OC)cncc2OC)cc1OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.43
PDE4A P27815 6/20 0.43
PDE4C Q08493 6/20 0.43
PDE4D Q08499 6/20 0.43
TRPC6 Q9Y210 3/20 0.37
PDGFRB P09619 3/20 0.37
PDGFRA P16234 3/20 0.37
FPR2 P25090 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL6606614 1.00 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DTRPC6
SCHEMBL6609416 0.90 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DTRPC6
SCHEMBL6609414 0.90 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DTRPC6
SCHEMBL6607722 0.90 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DTRPC6
SCHEMBL6607729 0.90 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DTRPC6
SCHEMBL6610551 0.85 PDE4D (0.43) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL6610555 0.85 PDE4D (0.43) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL6609041 0.85 PDE4D (0.45) PDE4BPDE4APDE4CPDE4DPDGFRB
SCHEMBL6609046 0.85 PDE4D (0.45) PDE4BPDE4APDE4CPDE4DPDGFRB
SCHEMBL6606116 0.83 MAPT (0.47) PDE4BPDE4APDE4CPDE4DPDGFRB

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