SCHEMBL8498258

SCHEMBL8498258

c1ccc(CCCCNCc2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.74
BCHE P06276 4/20 0.73
LTA4H P09960 1/20 0.66
EPHX2 P34913 1/20 0.66
MAOA P21397 1/20 0.59
OPRM1 P35372 1/20 0.58
OPRD1 P41143 1/20 0.58
OPRK1 P41145 1/20 0.58
CHRM2 P08172 1/20 0.58

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
SCHEMBL8493877 0.95 BCHE (0.72) SIGMAR1BCHELTA4HEPHX2MAOA
SCHEMBL9081140 0.88 LTA4H (0.82) BCHELTA4HEPHX2OPRM1OPRD1
SCHEMBL8499156 0.88 LTA4H (0.82) BCHELTA4HEPHX2OPRM1OPRD1
SCHEMBL9154589 0.86 LTA4H (0.79) BCHELTA4HEPHX2OPRM1OPRD1
SCHEMBL8814963 0.86 LTA4H (0.78) SIGMAR1BCHELTA4HEPHX2OPRM1
SCHEMBL6014422 0.86 SIGMAR1 (1.00) SIGMAR1BCHEMAOACHRM2
SCHEMBL6014369 0.84 SIGMAR1 (1.00) SIGMAR1BCHEMAOACHRM2
SCHEMBL7756958 0.84 SIGMAR1 (1.00) SIGMAR1BCHEMAOACHRM2
SCHEMBL6014543 0.84 SIGMAR1 (1.00) SIGMAR1BCHEMAOACHRM2
SCHEMBL8097260 0.84 SIGMAR1 (1.00) SIGMAR1BCHEMAOACHRM2

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 7 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
US-5631401-A Inhibitors of protein farnesyltransferase and squalene synthase ABBOTT LABORATORIES (US) 1997-05-20 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-1995021815-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND SQUALENE SYNTHASE ABBOTT LABORATORIES (US) 1995-08-17 WO disclosed
WO-1995012572-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1995-05-11 WO disclosed