SCHEMBL6605787

SCHEMBL6605787

COc1cnc(C(C#N)=Cc2c(Cl)cncc2Cl)cc1OCC1CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.43
PDE4B Q07343 6/20 0.43
PDE4D Q08499 4/20 0.43
PDE4A P27815 3/20 0.43
PDE4C Q08493 3/20 0.43
ABCB11 O95342 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL6605781 1.00 CNR2 (0.43) CNR2PDE4BPDE4DPDE4APDE4C
SCHEMBL6606590 0.86 MAPT (0.37) PDE4BPDE4DPDE4APDE4C
SCHEMBL6606599 0.86 MAPT (0.37) PDE4BPDE4DPDE4APDE4C
SCHEMBL6605677 0.85 MAPT (0.37) PDE4BPDE4DPDE4APDE4C
SCHEMBL6605671 0.85 MAPT (0.37) PDE4BPDE4DPDE4APDE4C
SCHEMBL6605284 0.84 PDE4A (0.44) PDE4BPDE4DPDE4APDE4C
SCHEMBL6605061 0.84 MAPT (0.36) PDE4BPDE4DPDE4APDE4C
SCHEMBL6605063 0.84 MAPT (0.36) PDE4BPDE4DPDE4APDE4C
SCHEMBL6605292 0.84 PDE4A (0.44) PDE4BPDE4DPDE4APDE4C
SCHEMBL6607113 0.83 MAPT (0.41) PDE4D

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