SCHEMBL6586148

SCHEMBL6586148

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.50
CHRNA7 P36544 2/20 0.44
NR1H4 Q96RI1 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
NAMPT P43490 4/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A5 Q9Y345 1/20 0.37
RBP4 P02753 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 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
SCHEMBL6586144 1.00 ACACB (0.50) ACACBCHRNA7NR1H4PRMT5WDR77
SCHEMBL6588089 0.89 KCNH2 (0.46) ACACBCHRNA7
SCHEMBL6587359 0.89 KCNH2 (0.46) ACACBCHRNA7
SCHEMBL6584366 0.85 CHRNA7 (0.45) ACACBCHRNA7PRMT5WDR77
SCHEMBL6586275 0.85 EPHX2 (0.47) ACACBCHRNA7PRMT5WDR77
SCHEMBL6585234 0.85 EPHX2 (0.47) ACACBCHRNA7PRMT5WDR77
SCHEMBL6584370 0.85 CHRNA7 (0.45) ACACBCHRNA7PRMT5WDR77
SCHEMBL6585239 0.85 EPHX2 (0.47) ACACBCHRNA7PRMT5WDR77
SCHEMBL6774355 0.81 ACACB (0.47) ACACBPRMT5WDR77KMT2ANAMPT
SCHEMBL6774352 0.81 ACACB (0.47) ACACBPRMT5WDR77KMT2ANAMPT

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 10 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 claimed
US-6514961-B1 Such as anxiety and all forms of epilepsy, particularly in humans VERNALIS RESEARCH LIMITED (GB) 2003-02-04 US claimed
EP-1196166-A1 AZETIDINE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 2002-04-17 EP claimed
WO-2001007043-A1 AZETIDINE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 2001-02-01 WO claimed
EP-1049671-A1 AZETIDINECARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 2000-11-08 EP claimed
WO-1999037614-A1 AZETIDINECARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 1999-07-29 WO claimed
EP-1049671-B1 AZETIDINECARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS VERNALIS RES LTD (GB) 2004-04-21 EP disclosed
US-6514961-B1 Such as anxiety and all forms of epilepsy, particularly in humans VERNALIS RESEARCH LIMITED (GB) 2003-02-04 US 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