SCHEMBL5013516

SCHEMBL5013516

Cc1ccc(CN2C(=O)OC3(CCCCC3)N2OC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
KMT2A Q03164 7/20 0.44
MEN1 O00255 4/20 0.44
ALOX12 P18054 1/20 0.44
MAPT P10636 6/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 3/20 0.39
LMNA P02545 3/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
HTR1E P28566 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
S1PR3 Q99500 1/20 0.38
PPIA P62937 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
SCHEMBL5013432 0.89 RAB9A (0.40) RAB9AKMT2AMEN1ALOX12MAPT
SCHEMBL4262167 0.77 MAPT (0.43) RAB9AKMT2AMEN1ALOX12MAPT
SCHEMBL5012907 0.74 TSHR (0.46) ALDH1A1HPGDLMNASMN1; SMN2NPSR1
SCHEMBL5011597 0.73 PLAAT3 (0.41) RAB9AKMT2AMAPTALDH1A1POLB
SCHEMBL10889357 0.66 KMT2A (0.65) RAB9AKMT2AMEN1ALOX12MAPT
SCHEMBL11086969 0.66 ALDH1A1 (0.74) RAB9AKMT2AMEN1ALOX12MAPT
SCHEMBL31650343 0.63 MAPT (0.78) RAB9AKMT2AMEN1ALOX12MAPT
SCHEMBL2205660 0.63 RAB9A (0.98) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL12325527 0.62 KMT2A (0.63) RAB9AKMT2AMEN1ALOX12MAPT
SCHEMBL1697905 0.62 RAB9A (0.61) RAB9AKMT2AMEN1MAPTALDH1A1

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