SCHEMBL8202686

SCHEMBL8202686

Cc1ccc(C2N(C3CC3)C(=O)C23CCN(C(=O)Nc2cc(F)cc(F)c2)CC3)cc1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 15/20 0.82
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
TRPV1 Q8NER1 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
SCHEMBL8212189 0.90 CACNA1H (1.00) CACNA1H
SCHEMBL8210812 0.83 CACNA1H (0.71) CACNA1HTRPV1
SCHEMBL8209885 0.82 CACNA1H (0.84) CACNA1HNPC1
SCHEMBL8202682 0.80 CACNA1H (0.69) CACNA1HTRPV1
SCHEMBL8210886 0.78 CACNA1H (1.00) CACNA1H
SCHEMBL8202575 0.77 CACNA1H (0.76) CACNA1HMAPT
SCHEMBL8202719 0.76 CACNA1H (0.63) CACNA1HTRPV1
SCHEMBL8201888 0.75 CACNA1H (0.73) CACNA1HTRPV1
SCHEMBL8202488 0.75 CACNA1H (0.75) CACNA1HTRPV1
SCHEMBL8210895 0.74 CACNA1H (0.68) CACNA1HTRPV1

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