SCHEMBL13639598

SCHEMBL13639598

CC(C)(C[C@@H]1N[C@@H](C(=O)O)[C@H](c2cccc(Cl)c2F)C1N)C1=CCOCC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 12/20 0.31
TP53 P04637 3/20 0.31
MDM4 O15151 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
SCHEMBL7950135 0.81 MDM2 (0.40) MDM2TP53MDM4
SCHEMBL13639600 0.81 MDM2 (0.40) MDM2TP53MDM4
SCHEMBL18773200 0.79
SCHEMBL7942537 0.75 MDM2 (0.47) MDM2TP53MDM4
SCHEMBL18773291 0.74
SCHEMBL13639641 0.73 MDM2 (0.33) MDM2TP53MDM4
SCHEMBL13639720 0.73 CACNA1G (0.38)
SCHEMBL3376570 0.72 MDM2 (0.61) MDM2TP53MDM4
SCHEMBL13571979 0.72 MDM2 (0.61) MDM2TP53MDM4
SCHEMBL3376564 0.72 MDM2 (0.61) MDM2TP53MDM4

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-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed