SCHEMBL9068411

SCHEMBL9068411

CC(C)(NC(=O)C1=C(C(=O)Nc2cc(OC3CCCC3)c(Cl)cc2F)CCCC1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.43
PDE4A P27815 6/20 0.43
PDE4B Q07343 6/20 0.43
PDE4C Q08493 6/20 0.43
SCN9A Q15858 1/20 0.42
LMNA P02545 1/20 0.40
DHODH Q02127 4/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PDE5A O76074 2/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL9068057 0.93 SCN9A (0.42) PDE4DPDE4APDE4BPDE4CSCN9A
SCHEMBL8760786 0.93 SMN1; SMN2 (0.42) PDE4DPDE4APDE4BPDE4CSCN9A
SCHEMBL8760721 0.92 SCN9A (0.40) PDE4DPDE4APDE4BPDE4CSCN9A
SCHEMBL8761711 0.92 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CSCN9A
SCHEMBL8763621 0.92 SCN9A (0.40) PDE4DPDE4APDE4BPDE4CSCN9A
SCHEMBL8760713 0.91 LMNA (0.44) PDE4DPDE4APDE4BPDE4CSCN9A
SCHEMBL8761295 0.91 DHODH (0.41) PDE4DPDE4APDE4BPDE4CSCN9A
SCHEMBL8762034 0.85 SCN9A (0.40) PDE4DPDE4APDE4BPDE4CSCN9A
SCHEMBL8763572 0.84 NPSR1 (0.51) PDE4DPDE4APDE4BPDE4CSCN9A
SCHEMBL8761749 0.84 DHODH (0.46) PDE4DPDE4APDE4BPDE4CSCN9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635485-B1 TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 1997-06-11 EP disclosed
US-5554581-A Tetrahydrophthalamide derivative, intermediate for producing the same, production of both, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-09-10 US disclosed
US-5506190-A Tetrahydrophthalamide derivative, intermediate for producing the same, production of both, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-04-09 US disclosed
EP-0635485-A1 TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-01-25 EP disclosed