SCHEMBL6426734

SCHEMBL6426734

O=C(O)NCCCCc1ccc2cccnc2n1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 18/20 0.57
OXGR1 Q96P68 2/20 0.50
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
ASAH1 Q13510 1/20 0.43

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
SCHEMBL13719339 0.96 SUCNR1 (0.58) SUCNR1OXGR1KDM4EMEN1LMNA
SCHEMBL3227810 0.82 SUCNR1 (0.47) SUCNR1OXGR1KDM4EMEN1LMNA
SCHEMBL30471836 0.82 SUCNR1 (0.57) SUCNR1OXGR1KDM4EMEN1LMNA
SCHEMBL24193793 0.82 SUCNR1 (0.57) SUCNR1OXGR1KDM4EMEN1LMNA
SCHEMBL6563211 0.80 SUCNR1 (0.61) SUCNR1OXGR1KDM4EMEN1LMNA
SCHEMBL2837975 0.79 HDAC1 (0.48) ASAH1
SCHEMBL7014475 0.78 SUCNR1 (0.54) SUCNR1OXGR1LMNA
SCHEMBL20517681 0.78 SUCNR1 (0.49) SUCNR1OXGR1KDM4EMEN1LMNA
SCHEMBL2842747 0.78 HDAC1 (0.50) ASAH1
SCHEMBL6424982 0.78 SUCNR1 (0.48) SUCNR1OXGR1KDM4E

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
EP-1286673-B8 LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO KG (DE) 2005-07-20 EP disclosed
EP-1286673-B1 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2005-05-25 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