SCHEMBL4432787

SCHEMBL4432787

Cc1ccc(NCCCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
MCHR1 Q99705 1/20 0.49
FFAR1 O14842 2/20 0.48
TAAR1 Q96RJ0 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
RORC P51449 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
CNR1 P21554 1/20 0.42
ERBB2 P04626 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL3648250 0.90 MAPT (0.61) MAPTFFAR1TAAR1RORCBCHE
SCHEMBL13522307 0.88 MAPT (0.64) MAPTMCHR1FFAR1TAAR1ALDH1A1
SCHEMBL26267825 0.87 KIF11 (0.56) MCHR1FFAR1TAAR1HDAC1HDAC8
SCHEMBL26267845 0.84 TAAR1 (0.53) MCHR1FFAR1TAAR1HDAC1HDAC8
SCHEMBL27610543 0.83 ALDH1A1 (0.53) MAPTMCHR1FFAR1TAAR1HDAC1
SCHEMBL26268161 0.83 MCHR1 (0.46) MAPTMCHR1FFAR1TAAR1HDAC1
SCHEMBL4433139 0.83 MAPT (0.57) MAPTMCHR1FFAR1ALDH1A1GAA
SCHEMBL24119313 0.83 TAAR1 (0.53) TAAR1HDAC1HDAC8BCHEACHE
Hydrochloric Acid SCHEMBL4430212 0.83 CNR1 (0.57) MAPTMCHR1FFAR1TAAR1HDAC1
Hydrochloric Acid SCHEMBL4433362 0.82 L3MBTL1 (0.55) MAPTMCHR1FFAR1TAAR1HDAC1

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