SCHEMBL4435564

SCHEMBL4435564

COc1ccc(CCCNc2ccc(C(F)(F)F)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.42
FABP4 P15090 1/20 0.42
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42
MCHR1 Q99705 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
FPR2 P25090 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4433139 0.80 MAPT (0.57) MAPTGAAALDH1A1CHRM1HTR2A
Hydrochloric Acid SCHEMBL4441377 0.79 MAPT (0.56) MAPTGAAALDH1A1CHRM1HTR2A
SCHEMBL4435722 0.78 MAPT (0.62) MAPTGAAALDH1A1CHRM1HTR2A
SCHEMBL4440594 0.77 MAPT (0.46) MAPTPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL265079 0.75 RORC (0.47) PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL16838845 0.74 MRGPRX4 (0.53) SMN1; SMN2NPC1RAB9A
SCHEMBL4441801 0.74 MAPT (0.60) MAPTGAAALDH1A1CHRM1HTR2A
SCHEMBL8827999 0.73 ALDH1A1 (0.63) MAPTPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL28224487 0.73 TRPV4 (0.46) ALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4440255 0.72 MAPT (0.59) MAPTGAAALDH1A1CHRM1HTR2A

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-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed