SCHEMBL8790973

SCHEMBL8790973

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.33
PARP14 Q460N5 1/20 0.32
ALDH1A1 P00352 2/20 0.32
FKBP1A P62942 2/20 0.32
FKBP4 Q02790 1/20 0.32
FKBP5 Q13451 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.30

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
SCHEMBL8790645 0.88 BRD4 (0.36) HRH3SMN1; SMN2
SCHEMBL7356483 0.81 ALDH1A1 (0.36) HRH3PARP14ALDH1A1FKBP1AFKBP4
SCHEMBL22117724 0.72 ALDH1A1 (0.35) HRH3PARP14ALDH1A1KDM4ESMN1; SMN2
SCHEMBL22117720 0.72 ALDH1A1 (0.35) HRH3PARP14ALDH1A1KDM4ESMN1; SMN2
SCHEMBL28640464 0.72 ALDH1A1 (0.35) HRH3PARP14ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2607204 0.69 NCF1 (0.41) PARP14ALDH1A1ITGB3ITGA2BPOLB
SCHEMBL11079358 0.69 TSHR (0.37) HRH3ALDH1A1ITGB3ITGA2BPOLB
SCHEMBL28653258 0.69 ALDH1A1 (0.36) HRH3ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL2603283 0.68 POLB (0.38) HRH3PARP14ITGB3ITGA2BPOLB
SCHEMBL7359364 0.68 BRD4 (0.46) HRH3SMN1; 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-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