SCHEMBL8496296

SCHEMBL8496296

c1ccc(CN(CC2CCCCC2)Oc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.44
OPRK1 P41145 9/20 0.44
OPRD1 P41143 8/20 0.44
G6PC1 P35575 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SLC18A3 Q16572 1/20 0.38
ATM Q13315 1/20 0.38
PTGES O14684 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALOX5 P09917 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
SCHEMBL9079902 0.77 TSHR (0.46) OPRM1OPRD1NPC1RAB9A
SCHEMBL5722096 0.76 OPRM1 (0.61) OPRM1OPRK1OPRD1G6PC1HDAC1
SCHEMBL24045930 0.76 G6PC1 (0.44) OPRM1OPRK1OPRD1G6PC1SLC18A3
Hydrochloric Acid SCHEMBL9079845 0.75 ALDH1A1 (0.44) OPRM1OPRD1NPC1RAB9A
SCHEMBL522763 0.73 SLC18A3 (0.49) OPRM1OPRK1OPRD1G6PC1HDAC1
SCHEMBL8773484 0.71 HDAC1 (0.61) HDAC1HDAC6ATMPTGESNPC1
SCHEMBL12126132 0.71 OPRM1 (0.54) OPRM1OPRK1OPRD1ATM
SCHEMBL9178257 0.71 TSHR (0.47) NPC1RAB9A
SCHEMBL9016960 0.70 OPRM1 (0.53) OPRM1OPRK1OPRD1G6PC1HDAC1
SCHEMBL9016964 0.70 OPRM1 (0.53) OPRM1OPRK1OPRD1G6PC1HDAC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0677039-B1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LAB (US) 1999-03-10 EP disclosed
US-5783593-A FUNGICIDE; ANTICHOLESTEROL AGENT ABBOTT LABORATORIES (US) 1998-07-21 US disclosed
WO-1996034850-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 WO disclosed
EP-0677039-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE Abbott Laboratories (US) 1995-10-18 EP disclosed
WO-1995012572-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1995-05-11 WO disclosed