SCHEMBL8210253

SCHEMBL8210253

CCC[C@H](NC(=O)N1CCC2(CC1)C(=O)N(C(C)C)C2c1ccc(Br)cc1)C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 18/20 0.51
GAA P10253 1/20 0.37
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL12876207 0.86 CACNA1H (0.68) CACNA1H
SCHEMBL8202719 0.75 CACNA1H (0.63) CACNA1HTRPV1
SCHEMBL8202012 0.73 CACNA1H (0.51) CACNA1HTRPV1
SCHEMBL8202765 0.73 TRPV1 (0.46) CACNA1HTRPV1
SCHEMBL8212825 0.73 CACNA1H (0.55) CACNA1H
SCHEMBL12876238 0.71 CACNA1H (0.58) CACNA1H
SCHEMBL14263480 0.70 CACNA1H (0.61) CACNA1HTRPV1
SCHEMBL13595860 0.69 CACNA1H (0.83) CACNA1H
SCHEMBL14263481 0.67 CACNA1H (0.63) CACNA1HTRPV1
SCHEMBL8202128 0.67 CACNA1H (0.47) CACNA1HGAA

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-2008033464-A2 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF DISORDERS OF THE LIPID METABOLISM SCHERING CORPORATION (US) 2008-03-20 WO disclosed