SCHEMBL8201888

SCHEMBL8201888

Nc1cccc(NC(=O)N2CCC3(CC2)C(=O)N(C2CC2)C3c2ccc(Cl)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 17/20 0.73
TRPV1 Q8NER1 2/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL8202575 0.92 CACNA1H (0.76) CACNA1HMEN1ALDH1A1RECQLKMT2A
SCHEMBL8209885 0.90 CACNA1H (0.84) CACNA1HALDH1A1
SCHEMBL12876303 0.87 CACNA1H (0.70) CACNA1HALDH1A1
SCHEMBL8212189 0.85 CACNA1H (1.00) CACNA1H
SCHEMBL8201883 0.82 CACNA1H (0.81) CACNA1H
SCHEMBL13596404 0.77 CACNA1H (0.74) CACNA1HMEN1ALDH1A1RECQLKMT2A
SCHEMBL8202765 0.76 TRPV1 (0.46) CACNA1HTRPV1
SCHEMBL8202686 0.75 CACNA1H (0.82) CACNA1HTRPV1
SCHEMBL13595960 0.74 CACNA1H (0.75) CACNA1HMEN1ALDH1A1RECQLKMT2A
SCHEMBL8202554 0.73 CACNA1H (0.85) 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-2008033464-A2 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF DISORDERS OF THE LIPID METABOLISM SCHERING CORPORATION (US) 2008-03-20 WO disclosed