SCHEMBL8763572

SCHEMBL8763572

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.51
SCN9A Q15858 1/20 0.49
LMNA P02545 1/20 0.47
DHODH Q02127 14/20 0.45
NR4A2 P43354 2/20 0.42
JMJD7 P0C870 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
PDE4D Q08499 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
KMO O15229 1/20 0.41

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
SCHEMBL8763496 0.90 NPC1 (0.51) NPSR1SCN9ALMNAPDE4DPDE4A
SCHEMBL9068391 0.90 SCN9A (0.48) NPSR1SCN9APDE4DPDE4APDE4B
SCHEMBL8760718 0.90 SCN9A (0.46) NPSR1SCN9ALMNAPDE4DPDE4A
SCHEMBL8761735 0.89 SCN9A (0.47) NPSR1SCN9ADHODHPDE4DPDE4A
SCHEMBL8760787 0.88 SCN9A (0.45) NPSR1SCN9ALMNADHODHPDE4D
SCHEMBL8763462 0.88 SCN9A (0.45) NPSR1SCN9ALMNADHODHPDE4D
SCHEMBL8761528 0.87 SCN9A (0.46) NPSR1SCN9ADHODHPDE4DPDE4A
SCHEMBL8760792 0.87 SCN9A (0.46) NPSR1SCN9APDE4DPDE4APDE4B
SCHEMBL8759761 0.87 NPSR1 (0.47) NPSR1SCN9ALMNADHODHPDE4D
SCHEMBL8760806 0.87 NPSR1 (0.50) NPSR1SCN9ALMNADHODHPDE4D

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