SCHEMBL3717622

SCHEMBL3717622

CCNc1ccc2nc(Oc3cc(Br)c(OC(C)C)cc3C)ccc2c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
P2RX3 P56373 5/20 0.31
TLR8 Q9NR97 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
SCHEMBL3718569 0.85 MAPT (0.37) MAPTP2RX3TLR8
SCHEMBL3718483 0.84 MAPT (0.38) MAPTP2RX3
SCHEMBL3717014 0.84 MAPT (0.34) MAPTNPC1RAB9AP2RX3TLR8
SCHEMBL3720739 0.83 MAPT (0.39) MAPTNPC1RAB9AP2RX3
SCHEMBL3720742 0.83 MAPT (0.37) MAPTP2RX3TLR8
SCHEMBL3717625 0.79 S1PR3 (0.36) TLR8
SCHEMBL3727694 0.79 MAPT (0.32) MAPT
SCHEMBL3720187 0.78 MAPT (0.32) MAPT
SCHEMBL3720648 0.78 MAPT (0.36) MAPTP2RX3
SCHEMBL3726852 0.78 P2RX3 (0.43) MAPTP2RX3

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed