SCHEMBL3884540

SCHEMBL3884540

CC(F)(Cc1cc(F)cc(F)c1)CC1CN(C(c2ccc(C#N)cc2)c2cccc(-c3n[nH]c(=O)o3)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 19/20 0.40
MDM2 Q00987 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
SCHEMBL3481436 0.97 NOTUM (0.39) NOTUMMDM2
SCHEMBL3482166 0.84 NOTUM (0.42) NOTUM
SCHEMBL501984 0.84 NOTUM (0.42) NOTUM
SCHEMBL501983 0.84 NOTUM (0.42) NOTUM
SCHEMBL502154 0.81 NOTUM (0.41) NOTUM
SCHEMBL3835696 0.81 NOTUM (0.41) NOTUM
SCHEMBL502155 0.81 NOTUM (0.41) NOTUM
SCHEMBL3481434 0.81 NOTUM (0.41) NOTUM
SCHEMBL4072255 0.80 MEN1 (0.37)
SCHEMBL5727680 0.79 MGLL (0.41)

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
EP-2019593-A1 PRO-DRUGS OF TERTIARY ALCOHOLS Merck & Co., Inc. (US) 2009-02-04 EP disclosed
WO-2007136571-A1 PRO-DRUGS OF TERTIARY ALCOHOLS MERCK & CO., INC. (US) 2007-11-29 WO disclosed