SCHEMBL6563235

SCHEMBL6563235

CC(C)(C)OC(=O)N(CCC(=O)N(C(=O)O)C(=O)O)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
OPRM1 P35372 1/20 0.40
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6566582 0.93 POLB (0.47) POLBGAASMN1; SMN2TSHRMEN1
SCHEMBL6301687 0.93 POLB (0.45) POLBGAASMN1; SMN2TSHRMEN1
SCHEMBL6563271 0.92 POLB (0.46) POLBGAASMN1; SMN2TSHRMEN1
SCHEMBL6302650 0.86 POLB (0.43) POLBGAASMN1; SMN2TSHRMEN1
SCHEMBL6300484 0.85 POLB (0.43) POLBGAASMN1; SMN2TSHRMEN1
SCHEMBL8486574 0.83 POLB (0.48) POLBGAASMN1; SMN2TSHRMEN1
SCHEMBL19317381 0.82 POLB (0.49) POLBGAASMN1; SMN2TSHRMEN1
SCHEMBL30876406 0.82 POLB (0.49) POLBGAASMN1; SMN2TSHRMEN1
SCHEMBL2042846 0.82 POLB (0.47) POLBGAASMN1; SMN2TSHRLMNA
SCHEMBL29075996 0.81 POLB (0.69) POLBGAASMN1; SMN2TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268429-B1 VITRONECTIN RECEPTOR ANTAGONIST BICYCLIC COMPOUNDS, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2004-08-18 EP disclosed
EP-1268429-A1 VITRONECTIN RECEPTOR ANTAGONIST BICYCLIC COMPOUNDS, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2003-01-02 EP disclosed
WO-2001079172-A1 VITRONECTIN RECEPTOR ANTAGONIST BICYCLIC COMPOUNDS, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER Departament Brevets/Fontanes (FR) 2001-10-25 WO disclosed