SCHEMBL13639583

SCHEMBL13639583

NC1[C@H](C2CCCCC2)N[C@@H](C(=O)NCC[C@H](O)CO)[C@@H]1c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 17/20 0.45
MDM4 O15151 1/20 0.45
TP53 P04637 3/20 0.42
GLA P06280 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 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 0.84 MDM2 (0.49) MDM2MDM4TP53
SCHEMBL13639638 0.80 MDM2 (0.57) MDM2MDM4TP53
SCHEMBL13639579 0.80 MDM2 (0.57) MDM2MDM4TP53
SCHEMBL7954402 0.78 MDM2 (0.56) MDM2MDM4TP53
SCHEMBL13639581 0.74 MDM2 (0.49) MDM2MDM4TP53
SCHEMBL13319671 0.73 MDM2 (0.70) MDM2MDM4TP53
SCHEMBL2152034 0.73 MDM2 (0.70) MDM2MDM4TP53
SCHEMBL13316671 0.73 MDM2 (0.39) MDM2MDM4TP53
SCHEMBL18772884 0.70 SLC6A2 (0.40) MDM2TP53TAAR1
SCHEMBL13639599 0.70 MDM2 (0.46) 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