SCHEMBL3665837

SCHEMBL3665837

Cc1ccc(-c2nocc2C(=O)N2CCC[C@H](C(C)(C)O)C2I)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 15/20 0.39
HCRTR1 O43613 14/20 0.39
SLC22A12 Q96S37 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL3663236 0.89 SCD5 (0.40) HCRTR2HCRTR1ALDH1A1SMN1; SMN2
SCHEMBL3665517 0.86 HCRTR2 (0.41) HCRTR2HCRTR1
SCHEMBL3663234 0.86 HCRTR2 (0.41) HCRTR2HCRTR1
SCHEMBL3663440 0.84 HCRTR2 (0.38) HCRTR2HCRTR1LMNATSHR
SCHEMBL3664145 0.84 HCRTR2 (0.38) HCRTR2HCRTR1LMNATSHR
SCHEMBL3663297 0.82 HCRTR1 (0.36) HCRTR2HCRTR1TSHRHTT
SCHEMBL3660112 0.81 GPBAR1 (0.43) HCRTR2HCRTR1ALDH1A1LMNATSHR
SCHEMBL3665247 0.81 GPBAR1 (0.43) HCRTR2HCRTR1ALDH1A1LMNATSHR
SCHEMBL3661558 0.80 HCRTR2 (0.39) HCRTR2HCRTR1SLC22A12ALDH1A1LMNA
SCHEMBL3665234 0.80 HCRTR2 (0.39) HCRTR2HCRTR1SLC22A12ALDH1A1LMNA

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