SCHEMBL3665267

SCHEMBL3665267

CC(C)(O)[C@H]1CCCN(C(=O)c2cnoc2-c2ccc(Cl)cc2)C1I

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.36
HCRTR1 O43613 5/20 0.35
HCRTR2 O43614 2/20 0.35
CNR2 P34972 1/20 0.35
PTGES O14684 1/20 0.34
CNR1 P21554 1/20 0.34
GRM5 P41594 1/20 0.34
DGAT1 O75907 1/20 0.34
PROKR1 Q8TCW9 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD11B1 P28845 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL3663269 1.00 TRPV1 (0.36) TRPV1HCRTR1HCRTR2CNR2PTGES
SCHEMBL3661558 0.91 HCRTR2 (0.39) HCRTR1HCRTR2GRM5SMN1; SMN2LMNA
SCHEMBL3665234 0.91 HCRTR2 (0.39) HCRTR1HCRTR2GRM5SMN1; SMN2LMNA
SCHEMBL3658400 0.90 GRM5 (0.42) TRPV1HCRTR1HCRTR2GRM5NPC1
SCHEMBL3656862 0.90 GRM5 (0.42) TRPV1HCRTR1HCRTR2GRM5NPC1
SCHEMBL3665835 0.89 GRM5 (0.45) HCRTR1HCRTR2GRM5
SCHEMBL3666816 0.86 HCRTR2 (0.41) HCRTR1HCRTR2GRM5HSD11B1
SCHEMBL3664407 0.86 HCRTR2 (0.41) HCRTR1HCRTR2GRM5HSD11B1
SCHEMBL3665268 0.84 HCRTR1 (0.39) HCRTR1HCRTR2NPC1RAB9AHSD11B1
SCHEMBL3664194 0.84 HCRTR1 (0.39) HCRTR1HCRTR2NPC1RAB9AHSD11B1

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 4 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 claimed
WO-2009090239-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (PUBL) (SE) 2009-07-23 WO claimed
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