SCHEMBL3665835

SCHEMBL3665835

CC(C)(O)[C@@H]1CCCN(C(=O)c2cnoc2-c2cccc(Cl)c2)C1I

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.45
HCRTR1 O43613 4/20 0.41
HCRTR2 O43614 4/20 0.41
USP30 Q70CQ3 1/20 0.40

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
SCHEMBL3665267 0.89 TRPV1 (0.36) GRM5HCRTR1HCRTR2
SCHEMBL3663269 0.89 TRPV1 (0.36) GRM5HCRTR1HCRTR2
SCHEMBL3664407 0.85 HCRTR2 (0.41) GRM5HCRTR1HCRTR2
SCHEMBL3666816 0.85 HCRTR2 (0.41) GRM5HCRTR1HCRTR2
SCHEMBL3665234 0.84 HCRTR2 (0.39) GRM5HCRTR1HCRTR2
SCHEMBL3661558 0.84 HCRTR2 (0.39) GRM5HCRTR1HCRTR2
SCHEMBL3664194 0.83 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL3665268 0.83 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL3656862 0.83 GRM5 (0.42) GRM5HCRTR1HCRTR2
SCHEMBL3658400 0.83 GRM5 (0.42) GRM5HCRTR1HCRTR2

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