SCHEMBL6774253

SCHEMBL6774253

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.43
CNR2 P34972 6/20 0.39
USP30 Q70CQ3 2/20 0.39
NAMPT P43490 1/20 0.39
SLC6A2 P23975 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
CNR1 P21554 2/20 0.37
GRIN2B Q13224 1/20 0.37
GAA P10253 1/20 0.37
RORC P51449 1/20 0.37
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6779924 0.88 CHRM2 (0.43) NAMPTALDH1A1MEN1KMT2ARORC
SCHEMBL6778327 0.84 NPC1 (0.46) USP30NAMPTALDH1A1GRIN2BRORC
SCHEMBL6783635 0.84 MAPT (0.42) USP30NAMPTSMN1; SMN2GRIN2BRAB9A
SCHEMBL6774355 0.81 ACACB (0.47) ACACBCNR2NAMPTSLC6A2ALDH1A1
SCHEMBL6774352 0.81 ACACB (0.47) ACACBCNR2NAMPTSLC6A2ALDH1A1
SCHEMBL6777336 0.81 ACACB (0.42) ACACBCNR2SLC6A2ALDH1A1SMN1; SMN2
SCHEMBL6780786 0.78 LMNA (0.44) SLC6A2MEN1KMT2ARAB9A
SCHEMBL6780159 0.77 GRIN2B (0.47) NAMPTMEN1KMT2AGRIN2B
SCHEMBL4402400 0.75 ACACB (0.48) ACACBSLC6A2ALDH1A1SMN1; SMN2MEN1
SCHEMBL4402762 0.75 SLC6A2 (0.49) ACACBSLC6A2ALDH1A1SMN1; SMN2MEN1

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 6 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 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