SCHEMBL4452633

SCHEMBL4452633

O=C1OC2(CCN(Cc3ccccc3)CC2)CN1c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.56
OPRM1 P35372 3/20 0.56
KCNH2 Q12809 1/20 0.54
SSTR5 P35346 11/20 0.51
CCR3 P51677 1/20 0.45
DRD2 P14416 1/20 0.44
TACR2 P21452 1/20 0.43
TACR1 P25103 1/20 0.43

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
SCHEMBL11359525 0.86 SIGMAR1 (0.56) SIGMAR1OPRM1KCNH2SSTR5DRD2
SCHEMBL24993849 0.79 OPRM1 (0.65) SIGMAR1OPRM1SSTR5
SCHEMBL3222232 0.78 SIGMAR1 (0.71) SIGMAR1OPRM1KCNH2SSTR5
SCHEMBL11367088 0.77 SIGMAR1 (0.56) SIGMAR1OPRM1KCNH2DRD2
SCHEMBL735835 0.77 NPY5R (0.47) SIGMAR1OPRM1KCNH2
SCHEMBL17319083 0.77 SIGMAR1 (0.66) SIGMAR1OPRM1KCNH2DRD2
SCHEMBL11368838 0.75 SIGMAR1 (0.52) SIGMAR1OPRM1KCNH2DRD2TACR2
SCHEMBL14963497 0.75 OPRM1 (0.54) SIGMAR1OPRM1SSTR5
SCHEMBL3031924 0.75 NPY5R (0.48) SIGMAR1OPRM1KCNH2
SCHEMBL3741390 0.75 NPY5R (0.52) SIGMAR1OPRM1KCNH2

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-2009037542-A2 SPIROCYCLIC COMPOUNDS AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-03-26 WO disclosed