SCHEMBL9542592

SCHEMBL9542592

CC(C)(C)COC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@@H](C(=O)N2Cc3ccccc3C[C@@H]2CC(=O)O)CC[C@H]1c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.33
BAD Q92934 2/20 0.33
NR1D1 P20393 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
SCHEMBL9543801 0.92 BCL2 (0.32) BCL2BADNR1D1
SCHEMBL9542933 0.91 ACE (0.38)
SCHEMBL9544782 0.91 OPRD1 (0.36) NR1D1
SCHEMBL9544069 0.91 OPRD1 (0.36) NR1D1
SCHEMBL9545339 0.86 PREP (0.36)
SCHEMBL9545343 0.86 PREP (0.36)
SCHEMBL9543541 0.85 PREP (0.34)
SCHEMBL9542488 0.85 PREP (0.33)
SCHEMBL9544857 0.84 DRD2 (0.35)
SCHEMBL9544849 0.84 DRD2 (0.35)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO claimed
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed