SCHEMBL27499031

SCHEMBL27499031

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.39
CHRNA7 P36544 2/20 0.39
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MGLL Q99685 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.34
UTS2R Q9UKP6 2/20 0.34
NAMPT P43490 1/20 0.34
POLB P06746 2/20 0.34
CCR1 P32246 1/20 0.33

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
SCHEMBL27517711 0.90 CYP1A2 (0.41) LSSCHRNA7NPC1RAB9AGAA
SCHEMBL27499032 0.90 LSS (0.49) LSSNPC1RAB9AMAPTALDH1A1
SCHEMBL27500949 0.90 LSS (0.39) LSSNPC1RAB9ALMNAALDH1A1
SCHEMBL27500573 0.90 GAA (0.46) LSSNPC1RAB9AMGLLALDH1A1
SCHEMBL5043448 0.89 LSS (0.38) LSSNPC1RAB9ALMNAALDH1A1
SCHEMBL27499635 0.87 CYP1A2 (0.48) MGLL
SCHEMBL7768094 0.86 LSS (0.53) LSSLMNAL3MBTL1MGLLALDH1A1
SCHEMBL5045831 0.85 LSS (0.52) LSSLMNAL3MBTL1MGLLALDH1A1
SCHEMBL27499947 0.81 LSS (0.41) LSSLMNAALDH1A1NAMPT
SCHEMBL7768101 0.81 ALDH1A1 (0.41) LSSLMNAMAPTATMALDH1A1

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