SCHEMBL5833940

SCHEMBL5833940

CC(=O)c1cccc(N(C)C(=O)OC2C3CCC2N(Cc2ccccc2)C3)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.43
OPRM1 P35372 2/20 0.43
OPRK1 P41145 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.38
HTT P42858 1/20 0.38
BCHE P06276 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CHRM2 P08172 4/20 0.37
CHRM3 P20309 4/20 0.37
CHRM1 P11229 2/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL5833270 0.85 MLNR (0.40) BCHECHRM2CHRM3CHRM1
SCHEMBL5833542 0.85 CHRM3 (0.44) OPRM1OPRK1BRD4BCHECHRM2
SCHEMBL5833116 0.83 ROCK2 (0.41) KMT2ABRD4HTTBCHECHRM2
SCHEMBL5833281 0.82 CHRM2 (0.40) BCHECHRM2CHRM3
SCHEMBL5833026 0.81 BCHE (0.41) KMT2ABRD4HTTBCHE
SCHEMBL5833435 0.81 SIGMAR1 (0.42) L3MBTL1KMT2ABCHECHRM2CHRM3
SCHEMBL5833447 0.81 TACR1 (0.41) KMT2ABCHE
SCHEMBL5833937 0.79 OPRD1 (0.47) OPRD1OPRM1OPRK1L3MBTL1KMT2A
SCHEMBL5844908 0.79 LMNA (0.36) L3MBTL1KMT2AHTTBCHEALDH1A1
SCHEMBL5833006 0.76 HTT (0.38) L3MBTL1BRD4HTTBCHEALDH1A1

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