SCHEMBL8760795

SCHEMBL8760795

CCOC(=O)N1CCC(NC(=O)C2=C(C(=O)Nc3cc(OC4CCCC4)c(Cl)cc3F)CCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.46
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 5/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.42
USP2 O75604 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
PDE4B Q07343 1/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 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 0.86 NPC1 (0.51) SMN1; SMN2PDE4BRAB9A
SCHEMBL8762797 0.81 SCN9A (0.45) MEN1KMT2ASMN1; SMN2PDE4BRAB9A
SCHEMBL8761528 0.81 SCN9A (0.46) PDE4B
SCHEMBL8762338 0.80 SCN9A (0.43) SMN1; SMN2PDE4B
SCHEMBL9068391 0.80 SCN9A (0.48) PDE4B
SCHEMBL8760612 0.80 SCN9A (0.43) PDE4BCYP2C19
SCHEMBL8763462 0.80 SCN9A (0.45) SMN1; SMN2PDE4BRAB9A
SCHEMBL8760787 0.80 SCN9A (0.45) SMN1; SMN2PDE4BRAB9A
SCHEMBL8761735 0.79 SCN9A (0.47) PDE4B
SCHEMBL9068242 0.79 SCN9A (0.43) CNR2EPHX2PDE4BCYP2C19

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