SCHEMBL6411469

SCHEMBL6411469

O=C(O)OC1=NOC2(CCN(C(=O)C=Cc3ccccc3)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 4/20 0.44
ME2 P23368 1/20 0.43
ME1 P48163 1/20 0.43
ME3 Q16798 1/20 0.43
GPR183 P32249 3/20 0.42
AR P10275 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TACR3 P29371 1/20 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
SCHEMBL2402507 0.83 RAB9A (0.53) RAB9AKMT2AMEN1POLBSMN1; SMN2
SCHEMBL6410324 0.83 RAB9A (0.53) RAB9AKMT2AMEN1POLBSMN1; SMN2
SCHEMBL6412136 0.81 SMN1; SMN2 (0.39) RAB9AKMT2AMEN1POLBSMN1; SMN2
SCHEMBL6411430 0.76 RAB9A (0.47) RAB9AKMT2AMEN1POLBGAA
SCHEMBL15309119 0.75 RAB9A (0.56) RAB9AKMT2AMEN1POLBSMN1; SMN2
SCHEMBL6414864 0.74 ALDH1A1 (0.56) SMN1; SMN2GAALMNAL3MBTL1
SCHEMBL6417720 0.74 ALDH1A1 (0.58) KMT2AMEN1POLBSMN1; SMN2L3MBTL1
SCHEMBL6409750 0.74 HPGD (0.47) KMT2APOLBSMN1; SMN2LMNAGPR183
SCHEMBL6419550 0.73 RAB9A (0.54) RAB9AKMT2AMEN1POLBSMN1; SMN2
SCHEMBL5124973 0.73 RAB9A (0.54) RAB9AKMT2AMEN1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP disclosed