SCHEMBL6779937

SCHEMBL6779937

C=CCNC(=O)N1CC(c2ccc(Cl)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 5/20 0.43
CYP1A2 P05177 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.42
CHRM4 P08173 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOA P21397 1/20 0.39

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
SCHEMBL6775575 0.86 KMT2A (0.47) RAB9ANPC1MAPTHPGDHSD17B10
SCHEMBL6777336 0.83 ACACB (0.42) RAB9ANPC1LMNAMAPTSMN1; SMN2
SCHEMBL9596858 0.80 EPHX2 (0.48) RAB9ANPC1HPGDPOLBMEN1
SCHEMBL9597022 0.80 HPGD (0.48) RAB9ANPC1LMNAMAPTSMN1; SMN2
SCHEMBL4635988 0.78 ALDH1A1 (0.41) RAB9ANPC1HPGDCYP1A2POLB
SCHEMBL6783635 0.78 MAPT (0.42) RAB9ANPC1LMNATP53MAPT
SCHEMBL4636071 0.77 FAAH (0.43) CYP2C19
SCHEMBL6778660 0.77 GRIN2B (0.46) RAB9ANPC1LMNATP53MAPT
SCHEMBL6778653 0.77 GRIN2B (0.46) RAB9ANPC1LMNATP53MAPT
SCHEMBL23453444 0.72 SMN1; SMN2 (0.49) RAB9ANPC1LMNATP53MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831078-B1 3-aryl substituted having halo or alkylhalo groups; anxiety, epilepsy; presurgery muscle relaxant VERNALIS RESEARCH LIMITED (GB) 2004-12-14 US claimed
EP-1049670-B1 AZETIDINECARBOXAMIDE DERIVATIVES FOR TREATING CNS DISORDERS VERNALIS RES LTD (GB) 2002-07-17 EP claimed
EP-1049670-A1 AZETIDINECARBOXAMIDE DERIVATIVES FOR TREATING CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 2000-11-08 EP claimed
WO-1999037613-A1 AZETIDINECARBOXAMIDE DERIVATIVES FOR TREATING CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 1999-07-29 WO claimed
EP-1049670-B1 AZETIDINECARBOXAMIDE DERIVATIVES FOR TREATING CNS DISORDERS VERNALIS RES LTD (GB) 2002-07-17 EP disclosed
EP-1196165-A2 AZETIDINE COMPOUNDS IN CNS AND EYE DISEASES VERNALIS RESEARCH LIMITED (GB) 2002-04-17 EP disclosed
WO-2001007022-A2 AZETIDINE COMPOUNDS IN CNS AND EYE DISEASES VERNALIS RESEARCH LIMITED (GB) 2001-02-01 WO disclosed
EP-1049670-A1 AZETIDINECARBOXAMIDE DERIVATIVES FOR TREATING CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 2000-11-08 EP disclosed
WO-1999037613-A1 AZETIDINECARBOXAMIDE DERIVATIVES FOR TREATING CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 1999-07-29 WO disclosed