SCHEMBL3663236

SCHEMBL3663236

COc1ccc(-c2nocc2C(=O)N2CCC[C@H](C(C)(C)O)C2I)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 6/20 0.40
SCD O00767 4/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PTPN1 P18031 1/20 0.36
GAA P10253 1/20 0.36
BTK Q06187 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3665837 0.89 HCRTR2 (0.39) HCRTR1HCRTR2ALDH1A1SMN1; SMN2
SCHEMBL3663297 0.86 HCRTR1 (0.36) SCDHCRTR1HCRTR2MEN1KMT2A
SCHEMBL3181486 0.80 LMNA (0.45) MEN1KMT2ANPC1RAB9ABTK
SCHEMBL3968856 0.80 LMNA (0.45) MEN1KMT2ANPC1RAB9ABTK
SCHEMBL3664145 0.80 HCRTR2 (0.38) HCRTR1HCRTR2
SCHEMBL3663440 0.80 HCRTR2 (0.38) HCRTR1HCRTR2
SCHEMBL3665247 0.79 GPBAR1 (0.43) HCRTR1HCRTR2MEN1KMT2ANPC1
SCHEMBL3660112 0.79 GPBAR1 (0.43) HCRTR1HCRTR2MEN1KMT2ANPC1
SCHEMBL3663234 0.78 HCRTR2 (0.41) HCRTR1HCRTR2
SCHEMBL3665517 0.78 HCRTR2 (0.41) HCRTR1HCRTR2

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