SCHEMBL3663440

SCHEMBL3663440

Cc1ccccc1-c1nocc1C(=O)N1CCC[C@@H](C(C)(C)O)C1I

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 9/20 0.38
HCRTR1 O43613 7/20 0.38
HSD11B1 P28845 1/20 0.36
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSP90AA1 P07900 4/20 0.35
HSP90AB1 P08238 4/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL3664145 1.00 HCRTR2 (0.38) HCRTR2HCRTR1HSD11B1LMNATSHR
SCHEMBL3665247 0.89 GPBAR1 (0.43) HCRTR2HCRTR1HSD11B1LMNATSHR
SCHEMBL3660112 0.89 GPBAR1 (0.43) HCRTR2HCRTR1HSD11B1LMNATSHR
SCHEMBL3665517 0.89 HCRTR2 (0.41) HCRTR2HCRTR1
SCHEMBL3663234 0.89 HCRTR2 (0.41) HCRTR2HCRTR1
SCHEMBL3665837 0.84 HCRTR2 (0.39) HCRTR2HCRTR1LMNATSHR
SCHEMBL3663295 0.82 HCRTR1 (0.39) HCRTR2HCRTR1HSD11B1LMNATSHR
SCHEMBL3663775 0.82 HCRTR1 (0.39) HCRTR2HCRTR1HSD11B1LMNATSHR
SCHEMBL3663236 0.80 SCD5 (0.40) HCRTR2HCRTR1
SCHEMBL3664032 0.79 LMNA (0.42) HCRTR2HSD11B1LMNATSHRNPSR1

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