SCHEMBL6606787

SCHEMBL6606787

COc1ccc(C(C#N)=Cc2c(Cl)cncc2Cl)nc1OCC1CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.42
PDE4B Q07343 6/20 0.40
PDE4A P27815 3/20 0.40
PDE4C Q08493 3/20 0.40
FFAR4 Q5NUL3 2/20 0.38
CNR2 P34972 9/20 0.36
CNR1 P21554 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.34
ABCB11 O95342 1/20 0.33

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
SCHEMBL6606783 1.00 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CFFAR4
SCHEMBL6606085 0.86 MAPT (0.38) PDE4DPDE4BPDE4APDE4CKDM4E
SCHEMBL6606091 0.86 MAPT (0.38) PDE4DPDE4BPDE4APDE4CKDM4E
SCHEMBL6609086 0.85 MAPT (0.38) PDE4DPDE4BPDE4APDE4CKDM4E
SCHEMBL6609082 0.85 MAPT (0.38) PDE4DPDE4BPDE4APDE4CKDM4E
SCHEMBL8398010 0.84 PDE4D (0.40) PDE4DPDE4BPDE4APDE4CKDM4E
SCHEMBL6609518 0.84 MAPT (0.37) PDE4DPDE4BPDE4APDE4CKDM4E
SCHEMBL8398005 0.84 PDE4D (0.40) PDE4DPDE4BPDE4APDE4CKDM4E
SCHEMBL6609522 0.84 MAPT (0.37) PDE4DPDE4BPDE4APDE4CKDM4E
SCHEMBL6611260 0.83 MAPT (0.36) PDE4DPDE4BPDE4APDE4CKDM4E

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