SCHEMBL8761622

SCHEMBL8761622

CC(NC(=O)C1=C(C(=O)Nc2cc(OC3CCCCC3)c(Cl)cc2F)CCCC1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.43
PDE4D Q08499 4/20 0.42
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
DHODH Q02127 7/20 0.41
NR4A2 P43354 2/20 0.40
EPHX1 P07099 2/20 0.39
LMNA P02545 1/20 0.39
RORC P51449 1/20 0.38
ACACB O00763 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL8761242 0.99 PDE4D (0.43) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL8760753 0.90 NPSR1 (0.37) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL8761735 0.89 SCN9A (0.47) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL8759705 0.86 PDE4D (0.42) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL8763572 0.85 NPSR1 (0.51) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL8760416 0.84 SCN9A (0.43) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL8763493 0.83 SCN9A (0.43) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL9068411 0.82 PDE4D (0.43) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL9068391 0.82 SCN9A (0.48) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL8759881 0.81 PDE4D (0.49) 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