SCHEMBL9040545

SCHEMBL9040545

CCOC(=O)CN1C(=O)C(NC(=O)OC(C)(C)C)C(c2ccccc2)Cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.45
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL7421691 0.84 CCKBR (0.51) CCKBR
SCHEMBL9039191 0.81 SCN9A (0.48) CCKBR
SCHEMBL9802812 0.80 GAA (0.48) CCKBRGAASMN1; SMN2
SCHEMBL9802473 0.80 GAA (0.48) CCKBRGAASMN1; SMN2
SCHEMBL9802457 0.80 GAA (0.48) CCKBRGAASMN1; SMN2
SCHEMBL9802817 0.80 GAA (0.48) CCKBRGAASMN1; SMN2
SCHEMBL7564700 0.80 CCKBR (0.63) CCKBR
SCHEMBL7598390 0.80 CCKBR (0.63) CCKBR
SCHEMBL9038735 0.80 CCKBR (0.46) CCKBRSMN1; SMN2
SCHEMBL11314209 0.78 GAA (0.52) CCKBRGAASMN1; SMN2

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
EP-0703222-A1 3-AMINOAZEPINE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-03-27 EP disclosed