SCHEMBL13639581

SCHEMBL13639581

CCC1(CC)N[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)C1N

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 18/20 0.49
MDM4 O15151 1/20 0.49
TP53 P04637 4/20 0.45
EPHX2 P34913 1/20 0.33

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
SCHEMBL13639533 0.79 MDM2 (0.49) MDM2MDM4TP53
SCHEMBL13639579 0.76 MDM2 (0.57) MDM2MDM4TP53
SCHEMBL13639638 0.76 MDM2 (0.57) MDM2MDM4TP53
SCHEMBL7949510 0.76 MDM2 (0.57) MDM2MDM4TP53
SCHEMBL13639583 0.74 MDM2 (0.45) MDM2MDM4TP53
SCHEMBL14642193 0.73 MDM2 (0.63) MDM2MDM4TP53
SCHEMBL2151662 0.73 MDM2 (0.63) MDM2MDM4TP53
SCHEMBL13319668 0.73 MDM2 (0.63) MDM2MDM4TP53
SCHEMBL13639535 0.72 MDM2 (0.60) MDM2MDM4TP53
SCHEMBL12445905 0.72 MDM2 (0.60) MDM2MDM4TP53

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