SCHEMBL7675331

SCHEMBL7675331

CC(C)(C)OC(=O)NCCCN1CCC2(CC1)c1ccccc1[S+]([O-])c1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.54
SIGMAR1 Q99720 3/20 0.49
ADRA1A P35348 1/20 0.46
OPRL1 P41146 2/20 0.44
CNR2 P34972 1/20 0.43
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL7677837 0.86 DRD2 (0.59) DRD2SIGMAR1ADRA1AOPRL1CNR2
SCHEMBL7674334 0.83 DRD2 (0.56) DRD2SIGMAR1ADRA1AOPRL1CNR2
SCHEMBL7681665 0.83 DRD2 (0.56) DRD2SIGMAR1ADRA1AOPRL1CNR2
SCHEMBL7675375 0.82 DRD2 (0.55) DRD2SIGMAR1ADRA1ACNR2
SCHEMBL7681697 0.79 DRD2 (0.52) DRD2SIGMAR1ADRA1A
SCHEMBL7681003 0.79 DRD2 (0.53) DRD2SIGMAR1ADRA1ACNR2
SCHEMBL7681348 0.79 DRD2 (0.51) DRD2SIGMAR1ADRA1AOPRL1CNR2
SCHEMBL6216974 0.78 DRD2 (0.57) DRD2SIGMAR1ADRA1A
SCHEMBL7672325 0.77 DRD2 (0.51) DRD2SIGMAR1ADRA1A
SCHEMBL7566269 0.76 DRD2 (0.63) DRD2SIGMAR1ADRA1ACNR2

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-6387893-B1 ADRENERGIC BLOCKING AGENT; BENIGN PROSATATIC HYPERPLASIA MERCK & CO., INC. 2002-05-14 US disclosed