SCHEMBL5833937

SCHEMBL5833937

CC(=O)c1cccc(N(CC2C3CCC2N(Cc2ccccc2)C3)C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.47
OPRM1 P35372 4/20 0.47
OPRK1 P41145 3/20 0.47
ACHE P22303 4/20 0.39
BRD4 O60885 1/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL5833539 0.84 CHRM2 (0.47) OPRM1OPRK1BRD4CHRM2CHRM3
SCHEMBL5833269 0.83 KDM1A (0.40) OPRD1KMT2A
SCHEMBL5833112 0.81 ROCK2 (0.41) OPRD1OPRM1OPRK1ACHEBRD4
SCHEMBL5833278 0.80 RNF4 (0.42) OPRD1ACHECHRM2CHRM3
SCHEMBL5833430 0.80 SIGMAR1 (0.43) ACHEKMT2ACHRM2CHRM3
SCHEMBL5833024 0.79 BRD4 (0.38) OPRD1OPRM1OPRK1BRD4KMT2A
SCHEMBL5833452 0.79 DCUN1D1 (0.40) ACHEKMT2A
SCHEMBL5833940 0.79 OPRD1 (0.43) OPRD1OPRM1OPRK1ACHEBRD4
SCHEMBL5844904 0.77 LMNA (0.38) ACHEKMT2ACHRM2CHRM3HTT
SCHEMBL5833003 0.74 SIGMAR1 (0.41) ACHEBRD4KMT2ACHRM2CHRM3

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