SCHEMBL8790645

SCHEMBL8790645

CC(N)[C]=O.COC(=O)CC1CCN(C)C(C)C1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
LTA4H P09960 1/20 0.32
OPRD1 P41143 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL8790973 0.88 HRH3 (0.33) SMN1; SMN2HRH3
SCHEMBL7359364 0.81 BRD4 (0.46) BRD4SMN1; SMN2LTA4HOPRD1HRH3
SCHEMBL8790348 0.80 ACE2 (0.39) SMN1; SMN2HRH3
SCHEMBL11079358 0.71 TSHR (0.37) HRH3
SCHEMBL7363075 0.68 HRH3 (0.34) BRD4HRH3
SCHEMBL7356483 0.68 ALDH1A1 (0.36) BRD4SMN1; SMN2HRH3
SCHEMBL2864044 0.67 BRD4 (0.50) BRD4SMN1; SMN2LTA4H
SCHEMBL10232806 0.67 BRD4 (0.42) BRD4LTA4HHRH3
SCHEMBL7350613 0.66
SCHEMBL10280096 0.66 BRD4 (0.53) BRD4SMN1; SMN2LTA4H

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-0800516-A1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORPORATION (JP) 1997-10-15 EP disclosed