SCHEMBL6775575

SCHEMBL6775575

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MAPT P10636 2/20 0.46
GRIN2B Q13224 1/20 0.45
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.41
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
NAMPT P43490 1/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
CHRM4 P08173 1/20 0.39
APOL1 O14791 1/20 0.39
ATM Q13315 1/20 0.39
PAX8 Q06710 2/20 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
SCHEMBL6779937 0.86 RAB9A (0.45) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6777336 0.83 ACACB (0.42) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL9596895 0.80 EPHX2 (0.45) KMT2AMEN1NPC1RAB9AGRIN2B
SCHEMBL4636531 0.78 NPC1 (0.48) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6778327 0.78 NPC1 (0.46) NPC1RAB9AMAPTGRIN2BTSHR
SCHEMBL6777723 0.77 PRMT5 (0.48) NPC1RAB9AMAPTGRIN2BTSHR
SCHEMBL6774775 0.77 PRMT5 (0.48) NPC1RAB9AMAPTGRIN2BTSHR
SCHEMBL6774773 0.77 PRMT5 (0.48) NPC1RAB9AMAPTGRIN2BTSHR
SCHEMBL2993373 0.71 KMT2A (0.44) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL10816474 0.69 USP30 (0.51) KMT2AMEN1NPC1RAB9AGAA

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 8 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
US-6831078-B1 3-aryl substituted having halo or alkylhalo groups; anxiety, epilepsy; presurgery muscle relaxant VERNALIS RESEARCH LIMITED (GB) 2004-12-14 US disclosed
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