SCHEMBL15544449

SCHEMBL15544449

O=C1COC2(CCN(Cc3ccc(Br)cc3O)CC2)CN1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.40
OPRM1 P35372 10/20 0.40
SIGMAR1 Q99720 4/20 0.40
TSHR P16473 2/20 0.37
GFER P55789 1/20 0.37
KCNH2 Q12809 1/20 0.34
SSTR5 P35346 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL14841999 0.90 OPRM1 (0.45) FASNOPRM1SIGMAR1
SCHEMBL15543650 0.88 OPRM1 (0.42) FASNOPRM1SIGMAR1KCNH2
SCHEMBL15544705 0.88 FASN (0.40) FASNOPRM1SIGMAR1KCNH2SSTR5
SCHEMBL15543526 0.84 FASN (0.39) FASNOPRM1SIGMAR1KCNH2SSTR5
SCHEMBL15544411 0.83 SIGMAR1 (0.52) FASNOPRM1SIGMAR1KCNH2KDM4E
SCHEMBL15543477 0.82 SIGMAR1 (0.40) FASNOPRM1SIGMAR1KCNH2SSTR5
SCHEMBL15544845 0.82 FASN (0.39) FASNOPRM1SIGMAR1KCNH2
SCHEMBL14720324 0.82 SIGMAR1 (0.44) FASNOPRM1SIGMAR1KCNH2
SCHEMBL14842007 0.80 FASN (0.40) FASNOPRM1SIGMAR1KCNH2
SCHEMBL15543614 0.79 FASN (0.65) FASNOPRM1SIGMAR1

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