SCHEMBL8760669

SCHEMBL8760669

O=C(NCCBr)C1=C(C(=O)Nc2cc(OC3CCCC3)c(Cl)cc2F)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.42
PDE4D Q08499 4/20 0.38
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PPOX P50336 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SUCNR1 Q9BXA5 2/20 0.35
RORC P51449 1/20 0.35
DHODH Q02127 1/20 0.35
CSNK2A1 P68400 1/20 0.34

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
SCHEMBL8761248 0.91 SCN9A (0.43) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL8762797 0.90 SCN9A (0.45) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL8760700 0.89 SCN9A (0.44) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL8760612 0.89 SCN9A (0.43) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL8761528 0.88 SCN9A (0.46) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL9068242 0.88 SCN9A (0.43) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL8760703 0.88 SCN9A (0.43) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL8763540 0.88 SCN9A (0.43) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL8759897 0.86 F2 (0.41) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL8763572 0.86 NPSR1 (0.51) SCN9APDE4DPDE4APDE4BPDE4C

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