SCHEMBL4940466

SCHEMBL4940466

O=C(CCl)N(CC1(O)CCN(c2ccc(OCc3ccccc3)cc2)CC1)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
S1PR5 Q9H228 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACACB O00763 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
CHRM4 P08173 1/20 0.39
CCR5 P51681 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL736647 0.98 HRH3 (0.41) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL737728 0.97 HRH3 (0.41) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL737369 0.96 HRH3 (0.42) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL737545 0.80 MAPT (0.50) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL4536337 0.79 OPRM1 (0.52) CHRM4MEN1KMT2A
SCHEMBL737726 0.75 MAPT (0.48) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL737638 0.74 RAB9A (0.46) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL735913 0.72 KDM4E (0.48) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL4940044 0.72 KDM4E (0.51) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL945189 0.72 ME2 (0.60) MAPTALDH1A1LMNAHTTKDM4E

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-101228127-B Piperidine derivatives BANYU PHARMA CO LTD 2012-05-16 CN disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP disclosed