SCHEMBL5833006

SCHEMBL5833006

CN(C(=O)OC1C2CCC1N(Cc1ccccc1)C2)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCHE P06276 1/20 0.38
LMNA P02545 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
AR P10275 1/20 0.36
POLB P06746 1/20 0.36
BRD4 O60885 1/20 0.36
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5844908 0.84 LMNA (0.36) HTTALDH1A1MAPTSMN1; SMN2BCHE
SCHEMBL5833026 0.79 BCHE (0.41) HTTSMN1; SMN2BCHEBRD4
SCHEMBL5833003 0.79 SIGMAR1 (0.41) HTTALDH1A1LMNASIGMAR1AR
SCHEMBL5833281 0.78 CHRM2 (0.40) BCHESIGMAR1
SCHEMBL5833542 0.77 CHRM3 (0.44) BCHEBRD4
SCHEMBL5833116 0.77 ROCK2 (0.41) HTTSMN1; SMN2BCHEBRD4
SCHEMBL5833940 0.76 OPRD1 (0.43) HTTALDH1A1BCHEBRD4L3MBTL1
SCHEMBL5833435 0.76 SIGMAR1 (0.42) BCHESIGMAR1MAPK1L3MBTL1
SCHEMBL5833447 0.76 TACR1 (0.41) BCHE
SCHEMBL5833270 0.74 MLNR (0.40) BCHE

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