SCHEMBL6774773

SCHEMBL6774773

C[C@H](O)CNC(=O)N1CC(c2ccc(F)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 1/20 0.45
TACR1 P25103 5/20 0.44
APOL1 O14791 5/20 0.44
GRIN2B Q13224 1/20 0.41
CCR1 P32246 1/20 0.40
CCR2 P41597 1/20 0.39
NAMPT P43490 2/20 0.39
TACR3 P29371 1/20 0.39
CHRM4 P08173 1/20 0.39
FAAH O00519 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
MTOR P42345 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
SCHEMBL6777723 1.00 PRMT5 (0.48) PRMT5WDR77RAB9ANPC1MAPT
SCHEMBL6774775 1.00 PRMT5 (0.48) PRMT5WDR77RAB9ANPC1MAPT
SCHEMBL6778660 0.86 GRIN2B (0.46) RAB9ANPC1MAPTGRIN2BCCR1
SCHEMBL6778653 0.86 GRIN2B (0.46) RAB9ANPC1MAPTGRIN2BCCR1
SCHEMBL6783908 0.86 TACR1 (0.45) TACR1CCR2NAMPT
SCHEMBL6778334 0.86 TACR1 (0.45) TACR1CCR2NAMPT
SCHEMBL6778331 0.86 TACR1 (0.45) TACR1CCR2NAMPT
SCHEMBL6774355 0.84 ACACB (0.47) PRMT5WDR77TACR1GRIN2BNAMPT
SCHEMBL6774352 0.84 ACACB (0.47) PRMT5WDR77TACR1GRIN2BNAMPT
SCHEMBL7536178 0.81 HRH3 (0.44) MAPTCYP2D6

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
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
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