SCHEMBL11021345

SCHEMBL11021345

CCc1ccccc1-c1c(CC)cccc1OCCCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
MAOB P27338 8/20 0.51
BCHE P06276 4/20 0.51
ACHE P22303 4/20 0.51
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL11018459 0.94 RAB9A (0.52) RAB9ANPC1HPGDTSHRMAOB
SCHEMBL11018675 0.91 RAB9A (0.52) RAB9ANPC1HPGDTSHRMAOB
SCHEMBL11024159 0.87 MAOB (0.48) RAB9ANPC1HPGDTSHRMAOB
SCHEMBL11020036 0.86 MAOB (0.50) RAB9ANPC1HPGDTSHRMAOB
SCHEMBL11022908 0.83 MAOB (0.56) RAB9ANPC1HPGDTSHRMAOB
SCHEMBL10676138 0.82 RAB9A (0.58) RAB9ANPC1HPGDMAOBBCHE
SCHEMBL11021740 0.82 RAB9A (0.64) RAB9ANPC1HPGDTSHRMAOB
SCHEMBL11019981 0.81 KDM4E (0.65) ALDH1A1TDP1L3MBTL1
SCHEMBL15924331 0.81 RAB9A (0.58) RAB9ANPC1HPGDTSHRMAOB
SCHEMBL11022638 0.81 L3MBTL1 (0.44) NPC1HPGDMAPTALDH1A1L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0157652-A1 2-, 3- And 4-biphenyloxyaminoalkanes and related compounds, their preparation and uses, and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1985-10-09 EP disclosed