SCHEMBL5833003

SCHEMBL5833003

O=C(O)N(CC1C2CCC1N(Cc1ccccc1)C2)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
MAPK1 P28482 1/20 0.38
HTT P42858 2/20 0.37
AR P10275 1/20 0.36
MCHR1 Q99705 1/20 0.36
POLB P06746 1/20 0.36
BRD4 O60885 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
ACHE P22303 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 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
SCHEMBL5844904 0.85 LMNA (0.38) SIGMAR1HTTMCHR1POLBKMT2A
SCHEMBL5833024 0.79 BRD4 (0.38) SIGMAR1BRD4KMT2ACHRM2CHRM3
SCHEMBL5833006 0.79 HTT (0.38) SIGMAR1MAPK1HTTARPOLB
SCHEMBL5833539 0.77 CHRM2 (0.47) SIGMAR1BRD4CHRM2CHRM3
SCHEMBL5833278 0.77 RNF4 (0.42) CHRM2CHRM3ACHE
SCHEMBL5833112 0.76 ROCK2 (0.41) BRD4CHRM2CHRM3ACHE
SCHEMBL5833530 0.75 MAPK1 (0.44) SIGMAR1MAPK1KMT2AALDH1A1
SCHEMBL5833452 0.75 DCUN1D1 (0.40) SIGMAR1KMT2AACHE
SCHEMBL5833937 0.74 OPRD1 (0.47) HTTBRD4KMT2ACHRM2CHRM3
SCHEMBL5833430 0.73 SIGMAR1 (0.43) SIGMAR1POLBKMT2ACHRM2CHRM3

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