SCHEMBL13998345

SCHEMBL13998345

O=C1N=C(N[C@H]2C[C@@H]3CCC2C3)SC1C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
CNR2 P34972 1/20 0.31
PDGFRB P09619 3/20 0.30
PDGFRA P16234 3/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GABBR2 O75899 1/20 0.30
GABBR1 Q9UBS5 1/20 0.30
JAK3 P52333 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL1606604 1.00 EPHX1 (0.38) EPHX1JAK2JAK1CNR2PDGFRB
SCHEMBL1606607 1.00 EPHX1 (0.38) EPHX1JAK2JAK1CNR2PDGFRB
SCHEMBL13998352 0.99 EPHX1 (0.35) EPHX1JAK2JAK1CNR2PDGFRB
SCHEMBL1605100 0.99 EPHX1 (0.35) EPHX1JAK2JAK1CNR2PDGFRB
SCHEMBL1605101 0.99 EPHX1 (0.35) EPHX1JAK2JAK1CNR2PDGFRB
SCHEMBL1605672 0.87 ALDH1A1 (0.35) JAK2JAK1CNR2ALDH1A1
SCHEMBL1605674 0.87 ALDH1A1 (0.35) JAK2JAK1CNR2ALDH1A1
SCHEMBL13998624 0.87 ALDH1A1 (0.35) JAK2JAK1CNR2ALDH1A1
SCHEMBL13998475 0.82 ALDH1A1 (0.34) JAK2JAK1CNR2ALDH1A1JAK3
SCHEMBL13998501 0.82 ALDH1A1 (0.34) JAK2JAK1CNR2ALDH1A1JAK3

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-1753736-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC (US) 2008-12-17 EP disclosed
US-7253196-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN, INC. (US) 2007-08-07 US disclosed
WO-2007061661-A2 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC. (US) 2007-05-31 WO disclosed