SCHEMBL1708366

SCHEMBL1708366

CCOc1nc2ccc(F)cc2n1-c1cccc2c1CCC2Nc1ccc2c(c1)OC[C@H]2OC(C)=O.[NaH]

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NTRK1 P04629 1/20 0.33
CD274 Q9NZQ7 2/20 0.32
FFAR1 O14842 4/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
ACACB O00763 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
SCHEMBL1708059 0.99 MAPT (0.35) MAPTLMNASMN1; SMN2NPSR1NTRK1
SCHEMBL1708078 0.90 MAPT (0.34) MAPTLMNASMN1; SMN2NPSR1NTRK1
SCHEMBL1708163 0.89 MAPT (0.34) MAPTLMNASMN1; SMN2NPSR1NTRK1
SCHEMBL1708170 0.89 SMN1; SMN2 (0.32) MAPTLMNASMN1; SMN2NPSR1CD274
SCHEMBL1707971 0.89 MAPT (0.34) MAPTLMNASMN1; SMN2NPSR1NTRK1
SCHEMBL1708269 0.89 MAPT (0.34) MAPTLMNASMN1; SMN2NPSR1NTRK1
SCHEMBL1708058 0.87 FFAR1 (0.42) FFAR1
SCHEMBL1708364 0.87 FFAR1 (0.36) NTRK1CD274FFAR1
SCHEMBL1708675 0.82 ALDH1A1 (0.33) MAPTALDH1A1MAPK1
SCHEMBL1708377 0.81 ALDH1A1 (0.33) MAPTALDH1A1MAPK1ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed