SCHEMBL3835696

SCHEMBL3835696

CC(C)(F)C(c1cc(F)cc(C#N)c1)C1CN(C(c2ccc(C#N)cc2)c2cccc(-c3n[nH]c(=O)o3)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 20/20 0.41

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
SCHEMBL502154 1.00 NOTUM (0.41) NOTUM
SCHEMBL502155 1.00 NOTUM (0.41) NOTUM
SCHEMBL3481434 1.00 NOTUM (0.41) NOTUM
SCHEMBL501983 0.97 NOTUM (0.42) NOTUM
SCHEMBL3482166 0.97 NOTUM (0.42) NOTUM
SCHEMBL501984 0.97 NOTUM (0.42) NOTUM
SCHEMBL501975 0.95 NOTUM (0.39) NOTUM
SCHEMBL501974 0.95 NOTUM (0.39) NOTUM
SCHEMBL3946497 0.95 NOTUM (0.39) NOTUM
SCHEMBL15475242 0.94 NOTUM (0.37) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906652-B2 Heterocycle-substituted 3-alkyl azetidine derivatives MERCK SHARP & DOHME CORP. (US) 2011-03-15 US disclosed
CN-101528730-A Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK & CO INC (US) 2009-09-09 CN disclosed
EP-2091937-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS Merck & Co., Inc. (US) 2009-08-26 EP disclosed
WO-2009042053-A2 NEUROMEDIN U RECEPTOR AGONISTS AND USES THEREOF MERCK & CO., INC. (US) 2009-04-02 WO disclosed
WO-2008051406-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 WO disclosed