SCHEMBL5833435

SCHEMBL5833435

COc1cc(N(C)C(=O)OC2C3CCC2N(Cc2ccccc2)C3)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
BACE1 P56817 2/20 0.40
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM3 P20309 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
SCHEMBL5833116 0.85 ROCK2 (0.41) MEN1KMT2ABCHECHRM2CHRM3
SCHEMBL5833447 0.83 TACR1 (0.41) MEN1KMT2ABCHE
SCHEMBL5833542 0.83 CHRM3 (0.44) BCHECHRM2CHRM3
SCHEMBL5833281 0.82 CHRM2 (0.40) SIGMAR1BCHECHRM2CHRM3
SCHEMBL5833940 0.81 OPRD1 (0.43) KMT2ABCHEACHEL3MBTL1CHRM2
SCHEMBL5833430 0.80 SIGMAR1 (0.43) SIGMAR1MEN1KMT2ABCHEACHE
SCHEMBL5833270 0.80 MLNR (0.40) BCHECHRM2CHRM3
SCHEMBL5833026 0.79 BCHE (0.41) MEN1KMT2ABCHE
SCHEMBL5844908 0.77 LMNA (0.36) MEN1KMT2ABCHEACHEL3MBTL1
SCHEMBL5833006 0.76 HTT (0.38) SIGMAR1BCHEMAPK1L3MBTL1

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
US-7008955-B2 (2-azabicyclo[2.2.1]hept-7yl) methanol derivatives as nicotinic acetylcholine receptor agonists MERCK PATENT GMBH (DE) 2006-03-07 US claimed