SCHEMBL8760787

SCHEMBL8760787

O=C(Nc1cc(OC2CCCC2)c(Cl)cc1F)C1=C(C(=O)N2CCCCCC2)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.45
HPGD P15428 2/20 0.43
PPOX P50336 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE4D Q08499 3/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
DHODH Q02127 2/20 0.38
ACLY P53396 1/20 0.37
LMNA P02545 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 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
SCHEMBL8763462 1.00 SCN9A (0.45) SCN9AHPGDPPOXNPSR1PDE4D
SCHEMBL8762338 0.99 SCN9A (0.43) SCN9AHPGDPPOXNPSR1PDE4D
SCHEMBL8763572 0.88 NPSR1 (0.51) SCN9ANPSR1PDE4DPDE4APDE4B
SCHEMBL8763496 0.85 NPC1 (0.51) SCN9AHPGDPPOXNPSR1PDE4D
SCHEMBL8760718 0.85 SCN9A (0.46) SCN9APPOXNPSR1PDE4DPDE4A
SCHEMBL9068391 0.85 SCN9A (0.48) SCN9APPOXNPSR1PDE4DPDE4A
SCHEMBL8761735 0.84 SCN9A (0.47) SCN9APPOXNPSR1PDE4DPDE4A
SCHEMBL8760706 0.83 SCN9A (0.40) SCN9AHPGDPPOXPDE4DPDE4A
SCHEMBL8760792 0.82 SCN9A (0.46) SCN9APPOXNPSR1PDE4DPDE4A
SCHEMBL11032694 0.82 DHODH (0.43) HPGDPPOXNPSR1DHODHACLY

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-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