SCHEMBL5015186

SCHEMBL5015186

O=C1OC2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)CN1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.43
SLC6A5 Q9Y345 3/20 0.43
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 1/20 0.38
GPR183 P32249 1/20 0.38
SLC2A1 P11166 1/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.37
TGM2 P21980 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1086868 0.92 ALDH1A1 (0.41) ALDH1A1POLBMAPTSMN1; SMN2RAB9A
SCHEMBL5012782 0.90 ALDH1A1 (0.39) ALDH1A1POLBMAPTSMN1; SMN2RAB9A
SCHEMBL5015178 0.89 MAPT (0.47) SLC6A9SLC6A5ALDH1A1POLBMAPT
SCHEMBL5016300 0.87 SLC6A9 (0.43) SLC6A9SLC6A5EPHX2ALDH1A1POLB
SCHEMBL1086411 0.84 ALDH1A1 (0.40) SLC6A9SLC6A5ALDH1A1POLBMAPT
SCHEMBL1086626 0.80 ALDH1A1 (0.41) SLC6A9SLC6A5ALDH1A1POLBMAPT
SCHEMBL1086255 0.80 ALDH1A1 (0.41) SLC6A9SLC6A5ALDH1A1POLBMAPT
SCHEMBL1086750 0.79 USP2 (0.56) EPHX2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL1086242 0.78 SMN1; SMN2 (0.46) EPHX2SMN1; SMN2
SCHEMBL1086126 0.78 KMT2A (0.41) EPHX2SMN1; SMN2GPR183KMT2A

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-1910381-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-04-16 EP disclosed
WO-2007000325-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-01-04 WO disclosed