SCHEMBL8209203

SCHEMBL8209203

NC(=O)N1CCC2(CC1)C(=O)N(c1ccc(F)cc1)C2c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 9/20 0.47
HSD11B1 P28845 1/20 0.46
TRPV1 Q8NER1 7/20 0.45
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
NPC1L1 Q9UHC9 2/20 0.41

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
SCHEMBL8209936 0.95 HSD11B1 (0.50) CACNA1HHSD11B1TRPV1
SCHEMBL8201876 0.84 CACNA1H (0.51) CACNA1HHSD11B1TRPV1
SCHEMBL8202542 0.83 CACNA1H (0.59) CACNA1HTRPV1
SCHEMBL8210399 0.82 TRPV1 (0.59) CACNA1HTRPV1
SCHEMBL8210895 0.82 CACNA1H (0.68) CACNA1HTRPV1
SCHEMBL8210396 0.82 TRPV1 (0.66) CACNA1HTRPV1
SCHEMBL8210596 0.81 CACNA1H (0.55) CACNA1HTRPV1
SCHEMBL8210273 0.81 TRPV1 (0.54) CACNA1HTRPV1
SCHEMBL8212614 0.81 TP53 (0.55) CACNA1HTRPV1NPC1L1
SCHEMBL8202447 0.80 CACNA1H (0.54) 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