SCHEMBL4435722

SCHEMBL4435722

COc1ccc(CCCNc2ccc(F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
GAA P10253 2/20 0.59
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 1/20 0.58
POLB P06746 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
FPR2 P25090 1/20 0.58
ALDH1A1 P00352 4/20 0.54
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
ATM Q13315 1/20 0.50
CALM1 P0DP23 1/20 0.49
CHRM1 P11229 1/20 0.48
HTR2A P28223 1/20 0.48
MCHR1 Q99705 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
FFAR1 O14842 1/20 0.48

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
SCHEMBL4441801 0.86 MAPT (0.60) MAPTGAAKMT2AFPR2ALDH1A1
SCHEMBL8827999 0.85 ALDH1A1 (0.63) MAPTGAAMEN1POLBKMT2A
Hydrochloric Acid SCHEMBL4440255 0.84 MAPT (0.59) MAPTGAAKMT2AFPR2ALDH1A1
SCHEMBL5108766 0.83 MTNR1A (0.58) MAPTMEN1KMT2AMAOBCHRM1
SCHEMBL4433139 0.83 MAPT (0.57) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL6687730 0.83 MAPT (0.86) MAPTGAAKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL4441377 0.82 MAPT (0.56) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL7474018 0.80 KDM4E (0.60) MAPTKDM4EMEN1POLBMAPK1
SCHEMBL4441449 0.80 MAPT (0.60) MAPTGAAKDM4EMEN1POLB
SCHEMBL5709763 0.79 MAPT (0.60) MAPTGAAKDM4EMEN1POLB

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