SCHEMBL8760713

SCHEMBL8760713

CC(C)(NC(=O)C1=C(C(=O)Nc2cc(OC3CCCC3)c(Cl)cc2F)CCCC1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
SCN9A Q15858 1/20 0.40
NPY2R P49146 2/20 0.40
PDE4D Q08499 7/20 0.39
DHODH Q02127 2/20 0.39
PDE4A P27815 4/20 0.39
PDE4B Q07343 4/20 0.39
PDE4C Q08493 4/20 0.39
SCN8A Q9UQD0 2/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR35 Q9HC97 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
SCHEMBL8763621 0.92 SCN9A (0.40) LMNASCN9APDE4DDHODHPDE4A
SCHEMBL8760721 0.92 SCN9A (0.40) LMNASCN9APDE4DDHODHPDE4A
SCHEMBL9068411 0.91 PDE4D (0.43) LMNASCN9APDE4DDHODHPDE4A
SCHEMBL9068057 0.88 SCN9A (0.42) LMNASCN9APDE4DDHODHPDE4A
SCHEMBL8760786 0.88 SMN1; SMN2 (0.42) LMNASCN9APDE4DDHODHPDE4A
SCHEMBL8761295 0.86 DHODH (0.41) LMNASCN9APDE4DDHODHPDE4A
SCHEMBL8761711 0.85 PDE4D (0.41) LMNASCN9ANPY2RPDE4DDHODH
SCHEMBL8762034 0.82 SCN9A (0.40) LMNASCN9APDE4DDHODHPDE4A
SCHEMBL8761749 0.81 DHODH (0.46) LMNASCN9APDE4DDHODHPDE4A
SCHEMBL9068391 0.81 SCN9A (0.48) 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 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-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