SCHEMBL6588089

SCHEMBL6588089

CC(O)CNC(=O)N1CC(Oc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
MCHR1 Q99705 1/20 0.46
ACACB O00763 7/20 0.45
CHRNA7 P36544 7/20 0.43
LIPE Q05469 1/20 0.43
EPHX2 P34913 1/20 0.43
TEAD1 P28347 1/20 0.41
LIPG Q9Y5X9 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
SCHEMBL6587359 1.00 KCNH2 (0.46) KCNH2MCHR1ACACBCHRNA7LIPE
SCHEMBL9595931 0.92 KCNH2 (0.47) KCNH2MCHR1ACACBCHRNA7LIPE
SCHEMBL6586144 0.89 ACACB (0.50) ACACBCHRNA7
SCHEMBL6586148 0.89 ACACB (0.50) ACACBCHRNA7
SCHEMBL6584366 0.87 CHRNA7 (0.45) ACACBCHRNA7EPHX2
SCHEMBL6584370 0.87 CHRNA7 (0.45) ACACBCHRNA7EPHX2
SCHEMBL6584876 0.87 KDM4E (0.49) ACACBEPHX2
SCHEMBL9596025 0.85 KCNH2 (0.48) KCNH2MCHR1ACACBCHRNA7LIPE
SCHEMBL6585234 0.84 EPHX2 (0.47) ACACBCHRNA7EPHX2
SCHEMBL6585239 0.84 EPHX2 (0.47) ACACBCHRNA7EPHX2

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-1049671-B1 AZETIDINECARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS VERNALIS RES LTD (GB) 2004-04-21 EP disclosed
EP-1049671-A1 AZETIDINECARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 2000-11-08 EP disclosed
WO-1999037614-A1 AZETIDINECARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 1999-07-29 WO disclosed