SCHEMBL5015178

SCHEMBL5015178

Cc1ccc(CN2CC3(CCN(C(=O)c4ccc([N+](=O)[O-])cc4Cl)CC3)OC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 4/20 0.42
POLB P06746 1/20 0.42
SLC6A9 P48067 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
AR P10275 1/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39

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 0.91 ALDH1A1 (0.41) MAPTTP53ALDH1A1POLBSMN1; SMN2
SCHEMBL5015186 0.89 SLC6A9 (0.43) MAPTALDH1A1POLBSLC6A9SLC6A5
SCHEMBL5012782 0.87 ALDH1A1 (0.39) MAPTTP53ALDH1A1POLBSMN1; SMN2
SCHEMBL1086411 0.86 ALDH1A1 (0.40) MAPTTP53ALDH1A1POLBSLC6A9
SCHEMBL1086626 0.82 ALDH1A1 (0.41) MAPTTP53ALDH1A1POLBSLC6A9
SCHEMBL5016300 0.82 SLC6A9 (0.43) MAPTALDH1A1POLBSLC6A9SLC6A5
SCHEMBL1086255 0.82 ALDH1A1 (0.41) MAPTTP53ALDH1A1POLBSLC6A9
SCHEMBL1085967 0.78 ALDH1A1 (0.44) MAPTALDH1A1POLBSLC6A9SLC6A5
SCHEMBL1086697 0.78 HTT (0.44) ALDH1A1POLB
SCHEMBL1085863 0.78 RXFP1 (0.40) ALDH1A1RAB9AKMT2A

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