SCHEMBL115669

SCHEMBL115669

OB(O)c1cc(CCN2CCOCC2)cnc1F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.43
AVPR1B P47901 5/20 0.38
RPS6KA3 P51812 1/20 0.38
POLB P06746 1/20 0.36
LRRK2 Q5S007 1/20 0.36
NPC1 O15118 1/20 0.36
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL116160 0.86 MAPT (0.43) NPC1
SCHEMBL29955596 0.86 MAPT (0.43) NPC1
SCHEMBL15987943 0.75 SIGMAR1 (0.56) SIGMAR1AVPR1BPOLBSLC6A3
SCHEMBL113876 0.73 SIGMAR1 (0.53) SIGMAR1RPS6KA3POLB
SCHEMBL28193623 0.71 SIGMAR1 (0.48) SIGMAR1RPS6KA3POLBLRRK2NPC1
SCHEMBL118074 0.71 PIK3CA (0.36) SIGMAR1AVPR1BLRRK2NPC1
SCHEMBL12311146 0.71 LPL (0.36) NPC1
SCHEMBL29339594 0.70 SIGMAR1 (0.45) SIGMAR1RPS6KA3POLB
SCHEMBL115750 0.69 MEN1 (0.49) POLB
SCHEMBL29953762 0.69 MEN1 (0.49) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed