SCHEMBL3665238

SCHEMBL3665238

CC(C)(O)C1CCCN(C(=O)c2cnoc2-c2ccc(Cl)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
PROKR1 Q8TCW9 5/20 0.42
GLA P06280 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.39
HSD11B1 P28845 1/20 0.39
GRM5 P41594 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PRCP P42785 2/20 0.38

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
SCHEMBL3185304 1.00 HCRTR1 (0.44) HCRTR1HCRTR2PROKR1GLAHSD17B10
SCHEMBL3182822 1.00 HCRTR1 (0.44) HCRTR1HCRTR2PROKR1GLAHSD17B10
SCHEMBL3181421 0.91 HCRTR2 (0.46) HCRTR1HCRTR2PROKR1LMNAHSD11B1
SCHEMBL3181045 0.91 HCRTR2 (0.46) HCRTR1HCRTR2PROKR1LMNAHSD11B1
SCHEMBL3175324 0.91 HCRTR2 (0.46) HCRTR1HCRTR2PROKR1LMNAHSD11B1
SCHEMBL3662497 0.90 HCRTR1 (0.44) HCRTR1HCRTR2LMNAHSD11B1GRM5
SCHEMBL3165998 0.90 HCRTR1 (0.44) HCRTR1HCRTR2LMNAHSD11B1GRM5
SCHEMBL3173489 0.90 HCRTR1 (0.44) HCRTR1HCRTR2LMNAHSD11B1GRM5
SCHEMBL3658411 0.88 HCRTR1 (0.45) HCRTR1HCRTR2HSD11B1GRM5NPC1
SCHEMBL3185587 0.88 HCRTR1 (0.45) HCRTR1HCRTR2HSD11B1GRM5NPC1

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