SCHEMBL15544134

SCHEMBL15544134

O=C1COC2(CCN(Cc3ncc(-c4ccc5cccnc5c4)cc3F)CC2)CN1C1(CO)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FASN P49327 7/20 0.45
EGLN1 Q9GZT9 3/20 0.35
OPRM1 P35372 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ROCK2 O75116 1/20 0.32
MET P08581 2/20 0.32
GSK3B P49841 1/20 0.32
CHRM1 P11229 2/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
SSTR5 P35346 1/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL15543513 0.91 FASN (0.46) FASNEGLN1OPRM1SIGMAR1ROCK2
SCHEMBL15544232 0.86 FASN (0.46) FASNEGLN1OPRM1SIGMAR1ROCK2
SCHEMBL15544184 0.86 FASN (0.46) FASNEGLN1OPRM1SIGMAR1ROCK2
SCHEMBL15543586 0.85 FASN (0.63) FASNEGLN1OPRM1SIGMAR1ROCK2
SCHEMBL15581976 0.81 FASN (0.44) FASNEGLN1OPRM1SIGMAR1ROCK2
SCHEMBL14720295 0.81 FASN (0.43) FASNMETGSK3B
Hydrochloric Acid SCHEMBL15543580 0.80 FASN (0.44) FASNEGLN1OPRM1SIGMAR1ROCK2
SCHEMBL4534412 0.79 FASN (0.70) FASNGSK3B
SCHEMBL15543899 0.79 FASN (0.47) FASNEGLN1OPRM1SIGMAR1CHRM1
SCHEMBL15544453 0.76 FASN (0.41) FASNEGLN1OPRM1SIGMAR1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014008223-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-01-09 WO claimed
WO-2014008223-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-01-09 WO disclosed
WO-2014008223-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-01-09 WO disclosed