SCHEMBL5370713

SCHEMBL5370713

O=C(NC(C(=O)COc1ccc(F)cc1)C1CCNCC1)c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.42
LMNA P02545 2/20 0.41
SMYD3 Q9H7B4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HTR2A P28223 2/20 0.37
TACR1 P25103 1/20 0.36

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
SCHEMBL5362898 0.90 SMYD3 (0.43) LMNASMYD3MEN1KMT2A
SCHEMBL5366736 0.90 AKT1 (0.42) SMYD3
SCHEMBL5367918 0.89 ALDH1A1 (0.41) SMYD3ITGB3ITGA2BMEN1KMT2A
SCHEMBL5370964 0.85 KMT2A (0.46) SMYD3ITGB3ITGA2BMEN1KMT2A
SCHEMBL5366087 0.82 HPGD (0.44) SMYD3L3MBTL1MEN1KMT2A
SCHEMBL5368815 0.75 CA2 (0.41) CTSLLMNAITGB3ITGA2B
SCHEMBL5362924 0.73 KMT2A (0.41) SMYD3ITGB3ITGA2BMEN1KMT2A
SCHEMBL5371022 0.72 KMT2A (0.49) CTSLSMYD3MEN1KMT2A
SCHEMBL5366617 0.70 ALDH1A1 (0.38) CTSLLMNA
SCHEMBL5364811 0.69 MEN1 (0.42) SMYD3MEN1KMT2ARXFP1

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
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed