SCHEMBL5811095

SCHEMBL5811095

O=C(NCc1ccc2c(c1)CCO2)N1CCC1OC(c1ccccc1)c1cccc(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
FAAH O00519 1/20 0.39
RYR2 Q92736 1/20 0.39
MAPT P10636 1/20 0.38
CHRM5 P08912 5/20 0.38
CHRM1 P11229 4/20 0.38
OPRK1 P41145 3/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM3 P20309 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRA2A P08913 1/20 0.38
DRD2 P14416 1/20 0.38
KCNE1 P15382 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HRH2 P25021 1/20 0.38

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
SCHEMBL5811091 0.90 RAB9A (0.46) RAB9ANPC1POLBFAAHRYR2
SCHEMBL5814013 0.81 GLA (0.44) POLBMAPTHRH3TSHRMEN1
SCHEMBL5816782 0.77 TACR1 (0.45) MAPTTSHRMEN1KMT2A
SCHEMBL5811099 0.77 RAB9A (0.45) RAB9ANPC1POLBFAAHRYR2
SCHEMBL5803266 0.77 HPGD (0.46) RAB9ANPC1MAPTKMT2ACYP2D6
SCHEMBL4085298 0.76 NPC1 (0.44) RAB9ANPC1POLBFAAHRYR2
SCHEMBL29574831 0.76 NPC1 (0.44) RAB9ANPC1POLBFAAHRYR2
SCHEMBL5821903 0.75 FABP3 (0.41) POLBFAAHMAPTDRD2FABP4
SCHEMBL5816049 0.74 CACNA2D1 (0.45) NPC1POLBGHSRMEN1KMT2A
SCHEMBL5814006 0.69 HRH3 (0.48) POLBMAPTOPRM1HRH3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620395-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2006-02-01 EP disclosed
WO-2004096763-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-11-11 WO disclosed