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Sugi Predict / Compounds / SCHEMBL3666816

SCHEMBL3666816

SCHEMBL3666816

Cc1ccc(-c2oncc2C(=O)N2CCC[C@@H](C(C)(C)O)C2I)cc1C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 16/20 0.41
▸ HCRTR1 O43613 14/20 0.41
▸ GRM5 P41594 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32

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
SCHEMBL3664407 1.00 HCRTR2 (0.41) HCRTR2HCRTR1GRM5HSD11B1
SCHEMBL3665234 0.89 HCRTR2 (0.39) HCRTR2HCRTR1GRM5
SCHEMBL3661558 0.89 HCRTR2 (0.39) HCRTR2HCRTR1GRM5
SCHEMBL3665267 0.86 TRPV1 (0.36) HCRTR2HCRTR1GRM5HSD11B1
SCHEMBL3656862 0.86 GRM5 (0.42) HCRTR2HCRTR1GRM5HSD11B1
SCHEMBL3663269 0.86 TRPV1 (0.36) HCRTR2HCRTR1GRM5HSD11B1
SCHEMBL3658400 0.86 GRM5 (0.42) HCRTR2HCRTR1GRM5HSD11B1
SCHEMBL3665835 0.85 GRM5 (0.45) HCRTR2HCRTR1GRM5
SCHEMBL3663469 0.84 HCRTR2 (0.41) HCRTR2HCRTR1
SCHEMBL3661305 0.84 HCRTR2 (0.41) HCRTR2HCRTR1

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