SCHEMBL27499032

SCHEMBL27499032

C=CCCNCCCCCCOC1CCN(C(=O)Oc2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.49
HRH3 Q9Y5N1 1/20 0.37
ALOX15 P16050 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 2/20 0.35
FAAH O00519 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 1/20 0.34
NAMPT P43490 1/20 0.34
BCHE P06276 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL27500949 0.90 LSS (0.39) LSSHRH3NPC1RAB9AGAA
SCHEMBL27499031 0.90 LSS (0.39) LSSNPC1RAB9AGAAALDH1A1
SCHEMBL27517711 0.90 CYP1A2 (0.41) LSSNPC1RAB9AGAANAMPT
SCHEMBL27500573 0.90 GAA (0.46) LSSNPC1RAB9AGAAALDH1A1
SCHEMBL5043448 0.89 LSS (0.38) LSSNPC1RAB9AGAAALDH1A1
SCHEMBL27499635 0.87 CYP1A2 (0.48) FAAH
SCHEMBL27499947 0.81 LSS (0.41) LSSALDH1A1NAMPTBCHE
SCHEMBL6448197 0.80 LSS (0.76) LSSKDM4EMEN1KMT2A
SCHEMBL27579069 0.80 LSS (0.43) LSSHRH3NPC1RAB9AGAA
SCHEMBL27517388 0.79 LSS (0.38) LSSRAB9AGAAEPHX2NAMPT

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
CN-1231466-C New piperidine derivatives HOFFMANN LA ROCHE (CH) 2005-12-14 CN disclosed
CN-1468220-A New piperidine derivatives - 2004-01-14 CN disclosed