SCHEMBL5561968

SCHEMBL5561968

CCOc1cccc2c1OC(C(C)C)C(=O)N(CCc1c[nH]c3ccc(OC)cc13)C2OC(=O)NC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.41
ABCG2 Q9UNQ0 12/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A4 P31645 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5556348 0.90 MTNR1A (0.41) MTNR1AABCG2MAPTALDH1A1L3MBTL1
SCHEMBL5562108 0.83 MEN1 (0.48) MTNR1AABCG2MAPTSLC6A4NPC1
SCHEMBL5562105 0.82 LMNA (0.44) MTNR1AABCG2MAPTALDH1A1L3MBTL1
SCHEMBL5561309 0.78 ALDH1A1 (0.43) MTNR1AMAPTALDH1A1L3MBTL1SLC6A4
SCHEMBL5556164 0.78 ALDH1A1 (0.41) MTNR1AABCG2MAPTALDH1A1L3MBTL1
SCHEMBL5561871 0.75 GAA (0.47) MAPTALDH1A1MEN1KMT2A
SCHEMBL5557097 0.74 ALDH1A1 (0.42) MTNR1AMAPTALDH1A1L3MBTL1NPC1
SCHEMBL5561821 0.74 MEN1 (0.45) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL5561157 0.73 RAB9A (0.44) MTNR1AABCG2MAPTALDH1A1L3MBTL1
SCHEMBL5555430 0.73 GAA (0.44) MAPTALDH1A1MEN1KMT2ASMN1; 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-1631296-B1 2,3,4,5-TETRAHYDROBENZO¬F|¬1,4|OXAZEPINE-5-CARBOXYLIC ACID AMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2007-04-25 EP claimed