SCHEMBL3663295

SCHEMBL3663295

Cc1ccccc1-c1oncc1C(=O)N1CCC[C@@H](C(C)(C)O)C1I

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.39
HCRTR2 O43614 10/20 0.39
LMNA P02545 2/20 0.36
HSD11B1 P28845 1/20 0.36
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35

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
SCHEMBL3663775 1.00 HCRTR1 (0.39) HCRTR1HCRTR2LMNAHSD11B1TSHR
SCHEMBL3664194 0.89 HCRTR1 (0.39) HCRTR1HCRTR2HSD11B1TSHR
SCHEMBL3665268 0.89 HCRTR1 (0.39) HCRTR1HCRTR2HSD11B1TSHR
SCHEMBL3662208 0.89 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL3661305 0.89 HCRTR2 (0.41) HCRTR1HCRTR2
SCHEMBL3663469 0.89 HCRTR2 (0.41) HCRTR1HCRTR2
SCHEMBL3665234 0.84 HCRTR2 (0.39) HCRTR1HCRTR2LMNATSHR
SCHEMBL3661558 0.84 HCRTR2 (0.39) HCRTR1HCRTR2LMNATSHR
SCHEMBL3666816 0.83 HCRTR2 (0.41) HCRTR1HCRTR2HSD11B1
SCHEMBL3664407 0.83 HCRTR2 (0.41) HCRTR1HCRTR2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231650-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Biovitrum AB (publ) (SE) 2010-09-29 EP disclosed
WO-2009090239-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (PUBL) (SE) 2009-07-23 WO disclosed