SCHEMBL2934660

SCHEMBL2934660

C=CC[C@](CCN(C(=O)O)[C@@H](C)C(C)(C)C)(N[S@+]([O-])C(C)(C)C)c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2548746 0.91
SCHEMBL12233933 0.90
SCHEMBL2548747 0.88 CTSL (0.30) KMT2AMEN1SMN1; SMN2
SCHEMBL3770808 0.86
SCHEMBL2567032 0.79 KCNN4 (0.33) SMN1; SMN2
SCHEMBL2567029 0.79 KCNN4 (0.33) SMN1; SMN2
SCHEMBL2567035 0.79 KCNN4 (0.33) SMN1; SMN2
SCHEMBL13010742 0.79 CACNA1G (0.32)
SCHEMBL3210998 0.72 KMT2A (0.35) KMT2AMEN1SMN1; SMN2
SCHEMBL3211002 0.72 KMT2A (0.35) KMT2AMEN1SMN1; SMN2

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
US-8440658-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
EP-2229368-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-09-22 EP disclosed
WO-2009075835-A1 CYCLIC UREA INHIBITORS OF 11β-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICAL, INC (US) 2009-06-18 WO disclosed