SCHEMBL7078017

SCHEMBL7078017

CC(C)(C)OC(=O)N1CCN(c2ccc(OC(F)F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
LMNA P02545 2/20 0.60
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.54
GPR119 Q8TDV5 7/20 0.53
NAMPT P43490 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP2C19 P33261 1/20 0.50
PDK2 Q15119 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL5686248 0.90 MAPT (0.53) MAPTLMNAALDH1A1SMN1; SMN2GPR119
SCHEMBL15703241 0.88 MAPT (0.61) MAPTLMNAALDH1A1SMN1; SMN2GPR119
SCHEMBL6414232 0.87 GPR119 (0.56) MAPTLMNAALDH1A1GPR119NAMPT
SCHEMBL5683363 0.86 LMNA (0.50) MAPTLMNAALDH1A1SMN1; SMN2GPR119
SCHEMBL5573222 0.86 MAPT (0.76) MAPTLMNAALDH1A1SMN1; SMN2GPR119
SCHEMBL8257643 0.85 MAPT (0.64) MAPTLMNAALDH1A1SMN1; SMN2GPR119
SCHEMBL3938884 0.85 MAPT (0.57) MAPTLMNAALDH1A1SMN1; SMN2GPR119
SCHEMBL5235779 0.84 MAPT (0.56) MAPTLMNAALDH1A1SMN1; SMN2GPR119
SCHEMBL1458624 0.83 L3MBTL1 (0.73) MAPTLMNAALDH1A1SMN1; SMN2GPR119
SCHEMBL2097736 0.83 MAPT (0.65) MAPTLMNAALDH1A1SMN1; SMN2GPR119

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
US-20030022893-A1 Hydroxamic and carboxylic acid derivatives BAXTER ANDREW DOUGLAS (GB) 2003-01-30 US disclosed
US-6465468-B1 SUCH AS N-HYDROXY-2-(4-(4-CHLOROPHENYL)PIPERAZINE-1-SULFONYL)BENZAMIDE; INHIBITORS OF MATRIX METALLOPROTEINASE, ADAM OR ADAMTS ENZYMES; TREATMENT OF DEGENERATIVE DISEASES AND CERTAIN CANCERS DARWIN DISCOVERY LIMITED (GB) 2002-10-15 US disclosed