SCHEMBL8224691

SCHEMBL8224691

CC[C@H](C)CNC(=O)N1CCC2(CC1)CN(C(C)C)C2c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 14/20 0.54
NAMPT P43490 5/20 0.35
DGAT2 Q96PD7 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
SCHEMBL8224825 0.90 CACNA1H (0.67) CACNA1HNAMPT
SCHEMBL13595860 0.80 CACNA1H (0.83) CACNA1H
SCHEMBL8224871 0.79 CACNA1H (0.62) CACNA1HNAMPT
SCHEMBL8227800 0.79 CACNA1H (0.64) CACNA1H
SCHEMBL13595942 0.78 CACNA1H (0.76) CACNA1H
SCHEMBL8226448 0.77 CACNA1H (0.87) CACNA1H
SCHEMBL8217859 0.77 CACNA1H (0.61) CACNA1HNAMPT
SCHEMBL8226405 0.75 CACNA1H (0.50) CACNA1HNAMPT
SCHEMBL8226891 0.75 CACNA1H (0.73) CACNA1H
SCHEMBL8219197 0.74 CACNA1H (0.78) CACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008033456-A1 SPIRO-CONDENSED AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABILISM SCHERING CORPORATION (US) 2008-03-20 WO disclosed