SCHEMBL1708078

SCHEMBL1708078

CCc1nc2ccc(F)cc2n1-c1cccc2c1CCC2Nc1ccc2c(c1)OC[C@H]2OC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 15)

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
BMI1 P35226 3/20 0.32
FFAR1 O14842 4/20 0.32
MCHR1 Q99705 5/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
NTRK1 P04629 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30
CYP11B2 P19099 1/20 0.30
FPR2 P25090 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
SCHEMBL1708170 0.92 SMN1; SMN2 (0.32) MAPTLMNASMN1; SMN2NPSR1BMI1
SCHEMBL1708059 0.90 MAPT (0.35) MAPTLMNASMN1; SMN2NPSR1FFAR1
SCHEMBL1708366 0.90 MAPT (0.34) MAPTLMNASMN1; SMN2NPSR1FFAR1
SCHEMBL1708661 0.89 MAPT (0.33) MAPTLMNASMN1; SMN2NPSR1BMI1
SCHEMBL1708673 0.89 MAPT (0.33) MAPTLMNASMN1; SMN2NPSR1BMI1
SCHEMBL1708077 0.87 FFAR1 (0.41) FFAR1
SCHEMBL1707879 0.82 MAPT (0.34) MAPTLMNASMN1; SMN2NPSR1BMI1
SCHEMBL1708122 0.82 MAPT (0.33) MAPTLMNASMN1; SMN2NPSR1BMI1
SCHEMBL1707980 0.81 ALDH1A1 (0.33) MAPTALDH1A1MAPK1
SCHEMBL1708287 0.81 MAPT (0.32) MAPTLMNASMN1; SMN2NPSR1BMI1

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