SCHEMBL4056164

SCHEMBL4056164

O=C(F)N(C(=O)OCc1ccccc1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.54
SIGMAR1 Q99720 1/20 0.48
TSHR P16473 1/20 0.46
ALDH1A1 P00352 3/20 0.45
EPHX1 P07099 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AGER Q15109 2/20 0.43
MTNR1A P48039 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FKBP1A P62942 2/20 0.42

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
SCHEMBL4056206 0.99 ENPP2 (0.52) ENPP2SIGMAR1TSHRALDH1A1EPHX1
SCHEMBL21872794 0.84 ENPP2 (0.60) ENPP2SIGMAR1TSHRALDH1A1EPHX1
SCHEMBL28378426 0.81 ENPP2 (0.49) ENPP2SIGMAR1TSHRALDH1A1EPHX1
SCHEMBL1008555 0.80 ENPP2 (0.56) ENPP2SIGMAR1TSHRALDH1A1EPHX1
SCHEMBL4205099 0.80 SIGMAR1 (0.63) ENPP2SIGMAR1TSHRALDH1A1MEN1
SCHEMBL24397539 0.79 ENPP2 (0.45) ENPP2SIGMAR1TSHRALDH1A1L3MBTL1
SCHEMBL22460342 0.79 ENPP2 (0.45) ENPP2SIGMAR1TSHRALDH1A1L3MBTL1
SCHEMBL8029227 0.78 SIGMAR1 (0.64) ENPP2SIGMAR1TSHRALDH1A1MEN1
SCHEMBL3564278 0.78 ENPP2 (0.54) ENPP2SIGMAR1TSHRALDH1A1EPHX1
SCHEMBL13684267 0.78 L3MBTL1 (0.63) ENPP2SIGMAR1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081919-A1 TETRAHYDROFURO [3, 2-B]PYRR0L-3-0NE INTERMEDIATES Amura Therapeutics Limited (GB) 2009-07-29 EP disclosed
WO-2008007132-A1 TETRAHYDROFURO [3, 2-B] PYRR0L-3-0NE INTERMEDIATES AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
WO-2008007112-A1 TETRAHYDROFURO [3, 2-B] PYRR0L-3-ONES AS CATHEPSIN K INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed