SCHEMBL5844908

SCHEMBL5844908

CN(C(=O)OC1C2CCC1N(Cc1ccccc1)C2)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 4/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS2 P35354 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BCHE P06276 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
BLM P54132 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CFTR P13569 1/20 0.34
FAAH O00519 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL5833006 0.84 HTT (0.38) LMNAMAPTALDH1A1POLBGAA
SCHEMBL5833542 0.82 CHRM3 (0.44) BCHECHRM2CHRM1CHRM3ROCK2
SCHEMBL5844904 0.81 LMNA (0.38) LMNAMAPTTP53ALDH1A1POLB
SCHEMBL5833281 0.79 CHRM2 (0.40) BCHECHRM2CHRM3
SCHEMBL5833940 0.79 OPRD1 (0.43) ALDH1A1HTTKMT2ABCHECHRM2
SCHEMBL5833447 0.79 TACR1 (0.41) MEN1KMT2ABCHE
SCHEMBL5833116 0.78 ROCK2 (0.41) HTTMEN1KMT2ASMN1; SMN2BCHE
SCHEMBL5833270 0.77 MLNR (0.40) BCHECHRM2CHRM1CHRM3FAAH
SCHEMBL5833435 0.77 SIGMAR1 (0.42) MEN1KMT2ABCHECHRM2CHRM3
SCHEMBL5833026 0.75 BCHE (0.41) HTTMEN1KMT2ASMN1; SMN2BCHE

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