SCHEMBL5023219

SCHEMBL5023219

CC(C)N1CCC(Oc2cc3[nH]c(C(=O)OCC4CC4)c(C(N)=O)c3cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.45
SLC5A7 Q9GZV3 2/20 0.36
POLB P06746 1/20 0.36
ACACB O00763 1/20 0.33
MAP2 P11137 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33

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
SCHEMBL5025094 0.87 HRH3 (0.48) HRH3SLC5A7POLBMAP2PARP1
SCHEMBL5017161 0.84 HRH3 (0.45) HRH3
SCHEMBL5023220 0.84 HRH3 (0.53) HRH3
SCHEMBL5023047 0.79 HRH3 (0.42) HRH3ACACB
SCHEMBL5017066 0.75 HRH3 (0.57) HRH3LMNANPSR1
SCHEMBL5027475 0.74 HRH3 (0.54) HRH3
SCHEMBL5017166 0.71 HRH3 (0.51) HRH3
SCHEMBL5025902 0.71 HRH3 (0.47) HRH3
SCHEMBL1379107 0.70 HRH3 (0.56) HRH3LMNA
SCHEMBL4499059 0.70 HRH3 (0.49) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761519-B1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-05-07 EP disclosed
EP-1761519-A1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2005123716-A1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO disclosed