SCHEMBL8210895

SCHEMBL8210895

O=C(Nc1cc(F)cc(F)c1)N1CCC2(CC1)C(=O)N(c1ccc(F)cc1)C2c1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 14/20 0.68
TRPV1 Q8NER1 5/20 0.55
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL8202468 0.92 CACNA1H (0.68) CACNA1HTRPV1
SCHEMBL14263418 0.91 CACNA1H (0.81) CACNA1HTRPV1
SCHEMBL8210396 0.90 TRPV1 (0.66) CACNA1HTRPV1CA12CA1CA2
SCHEMBL8208298 0.90 CACNA1H (0.58) CACNA1HTRPV1CA12CA1CA2
SCHEMBL8202488 0.87 CACNA1H (0.75) CACNA1HTRPV1
SCHEMBL8210596 0.85 CACNA1H (0.55) CACNA1HTRPV1
SCHEMBL8210802 0.85 CACNA1H (0.57) CACNA1HTRPV1
SCHEMBL8209771 0.85 CACNA1H (0.57) CACNA1HTRPV1
SCHEMBL8210273 0.85 TRPV1 (0.54) CACNA1HTRPV1
SCHEMBL8201876 0.84 CACNA1H (0.51) 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-2008033465-A1 AZETIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-03-20 WO disclosed