SCHEMBL7948520

SCHEMBL7948520

NCCOCCNC(=O)C1NC[C@](N)(c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 12/20 0.41
TP53 P04637 3/20 0.41
MDM4 O15151 3/20 0.39
CACNA1B Q00975 2/20 0.34
HSD11B1 P28845 1/20 0.32
PYGL P06737 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL12446085 0.85 MDM2 (0.55) MDM2TP53MDM4CACNA1BHSD11B1
SCHEMBL12445916 0.84 MDM2 (0.44) MDM2TP53MDM4CACNA1BHSD11B1
SCHEMBL12446087 0.81 MDM2 (0.44) MDM2TP53MDM4
SCHEMBL12446511 0.80 MDM2 (0.54) MDM2TP53MDM4
SCHEMBL18773321 0.78 MDM2 (0.58) MDM2TP53MDM4
SCHEMBL12446587 0.77 LMNA (0.46) MDM2TP53MAPT
SCHEMBL7952593 0.77 P2RX7 (0.40) MDM2TP53MDM4
SCHEMBL12446512 0.75 HTT (0.46) MDM2TP53MDM4CACNA1BHSD11B1
SCHEMBL13320012 0.74 MDM2 (0.76) MDM2TP53MDM4
SCHEMBL12446594 0.73 LMNA (0.53) MAPT

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-2010031713-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed