SCHEMBL5800629

SCHEMBL5800629

NC(=O)N1CCC1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.46
HSD11B1 P28845 1/20 0.46
MC4R P32245 2/20 0.46
MC3R P41968 2/20 0.46
MC1R Q01726 2/20 0.46
GAA P10253 1/20 0.46
ABCB1 P08183 1/20 0.46
SCD5 Q86SK9 1/20 0.45
DPP4 P27487 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
ABHD6 Q9BV23 4/20 0.43
DAGLA Q9Y4D2 4/20 0.43

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
SCHEMBL6429540 0.89 HSD11B1 (0.58) HSD11B1SCD5DPP4GABRA1GABRG2
SCHEMBL18862950 0.86 HSD11B1 (0.48) HSD11B1MC4RMC3RMC1RABCB1
SCHEMBL18862951 0.86 HSD11B1 (0.48) HSD11B1MC4RMC3RMC1RABCB1
SCHEMBL11760424 0.83 HSD11B1 (0.46) TACR1HSD11B1MC4RMC3RMC1R
SCHEMBL27946634 0.82 ABCB1 (0.62) TACR1ABCB1
SCHEMBL2753534 0.80 CA1 (0.63) ABCB1DPP4
SCHEMBL4584365 0.80 CA1 (0.63) DPP4
SCHEMBL16197157 0.80 PSEN1 (0.56) TACR1HSD11B1MC4RMC3RMC1R
SCHEMBL2753820 0.79 CA1 (0.64) GAAABCB1DPP4
SCHEMBL23459127 0.77 SCD5 (0.57) HSD11B1MC4RMC3RMC1RSCD5

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