SCHEMBL3662497

SCHEMBL3662497

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GRM5 P41594 1/20 0.43
CLPP Q16740 1/20 0.43
HSD11B1 P28845 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 2/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 1/20 0.38
CASP1 P29466 1/20 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
SCHEMBL3173489 1.00 HCRTR1 (0.44) HCRTR1HCRTR2MEN1KMT2AGRM5
SCHEMBL3165998 1.00 HCRTR1 (0.44) HCRTR1HCRTR2MEN1KMT2AGRM5
SCHEMBL3181045 0.91 HCRTR2 (0.46) HCRTR1HCRTR2MEN1KMT2AHSD11B1
SCHEMBL3175324 0.91 HCRTR2 (0.46) HCRTR1HCRTR2MEN1KMT2AHSD11B1
SCHEMBL3181421 0.91 HCRTR2 (0.46) HCRTR1HCRTR2MEN1KMT2AHSD11B1
SCHEMBL3171542 0.90 RAB9A (0.43) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL3665238 0.90 HCRTR1 (0.44) HCRTR1HCRTR2GRM5HSD11B1LMNA
SCHEMBL3185304 0.90 HCRTR1 (0.44) HCRTR1HCRTR2GRM5HSD11B1LMNA
SCHEMBL3182822 0.90 HCRTR1 (0.44) HCRTR1HCRTR2GRM5HSD11B1LMNA
SCHEMBL3171580 0.86 HCRTR1 (0.44) HCRTR1HCRTR2MEN1KMT2AHSD11B1

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