SCHEMBL3717017

SCHEMBL3717017

CCCN(c1ccccn1)c1cccc2c1OC[C@H]2Nc1ccc2c(c1)OC(C)[C@H]2OC(C)=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1708709 0.89 SMN1; SMN2 (0.33) SMN1; SMN2HSD17B10
SCHEMBL1707962 0.88 SMN1; SMN2 (0.33) SMN1; SMN2HSD17B10
SCHEMBL10010075 0.81 PPARG (0.41)
SCHEMBL3718334 0.80 PPARG (0.33)
SCHEMBL1708342 0.80 NPC1 (0.35) SMN1; SMN2
SCHEMBL1708500 0.78 P2RX7 (0.32)
SCHEMBL1708436 0.78 P2RX7 (0.30)
SCHEMBL1708581 0.77 POLB (0.31) SMN1; SMN2HSD17B10
SCHEMBL1708712 0.77 FFAR1 (0.33)
SCHEMBL3718064 0.75 BACE1 (0.30)

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-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed