SCHEMBL7678227

SCHEMBL7678227

CCOC(=O)N1CCC2(CC1)c1ccccc1[S+]([O-])c1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.50
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
OPRD1 P41143 2/20 0.45
OPRK1 P41145 2/20 0.45
OPRM1 P35372 1/20 0.45
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7679291 0.79 APP (0.52) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL7674584 0.79 APP (0.52) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21581202 0.76 OPRD1 (0.63) APPOPRD1OPRK1OPRM1TSHR
SCHEMBL8915496 0.73 OPRL1 (0.53) APPL3MBTL1OPRD1OPRK1OPRM1
SCHEMBL6247508 0.73 APP (0.60) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL22874143 0.71 APP (0.56) APPL3MBTL1OPRD1OPRK1OPRM1
SCHEMBL4977356 0.70 HRH3 (0.55) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL4977361 0.70 HRH3 (0.55) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL6816262 0.70 L3MBTL1 (0.60) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL9528495 0.70 APP (0.66) APPPSEN1PSEN2APH1BNCSTN

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