SCHEMBL6462634

SCHEMBL6462634

COCNC(=O)CCCCNC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
RECQL P46063 1/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
EPHX2 P34913 3/20 0.41
GAA P10253 1/20 0.41
CASP2 P42575 1/20 0.40
ADRA1A P35348 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
FAAH O00519 1/20 0.40
ALDH1A1 P00352 1/20 0.39
BCHE P06276 1/20 0.38
CHRM2 P08172 1/20 0.38
ACHE P22303 1/20 0.38
PRMT1 Q99873 1/20 0.38
NAAA Q02083 1/20 0.38

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
SCHEMBL5423998 0.94 TSHR (0.53) TSHRRECQLMEN1KMT2AHPGD
SCHEMBL6500143 0.86 TSHR (0.42) TSHRRECQLMEN1KMT2AHPGD
SCHEMBL11505724 0.86 RECQL (0.58) TSHRRECQLMEN1KMT2AHPGD
SCHEMBL4849009 0.79 FAAH (0.61) TSHRRECQLMEN1KMT2AEPHX2
SCHEMBL500235 0.78 TDP1 (0.57) TSHRRECQLMEN1KMT2AGAA
SCHEMBL8639742 0.77 TSHR (0.46) TSHRRECQLMEN1KMT2AHPGD
SCHEMBL13241886 0.77 FAAH (0.64) RECQLMEN1KMT2AEPHX2CASP2
SCHEMBL14071552 0.77 FAAH (0.64) RECQLMEN1KMT2AEPHX2CASP2
SCHEMBL13241883 0.77 FAAH (0.64) RECQLMEN1KMT2AEPHX2CASP2
SCHEMBL2126624 0.77 FAAH (0.64) RECQLMEN1KMT2AEPHX2CASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286673-B8 LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO KG (DE) 2005-07-20 EP disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2002051810-A2 INTEGRIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2002-07-04 WO disclosed
WO-2001093840-A2 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2001-12-13 WO disclosed