SCHEMBL4745338

SCHEMBL4745338

CC(C)NC(=O)CN1CCN(CCCCCOc2ccc(CC(C)c3ccccc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ITGB3 P05106 4/20 0.49
ITGA2B P08514 4/20 0.49
HRH4 Q9H3N8 3/20 0.48
NPC1 O15118 3/20 0.47
KCNH2 Q12809 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HRH1 P35367 1/20 0.47
BCHE P06276 3/20 0.47
ACHE P22303 3/20 0.47
NPY1R P25929 1/20 0.47

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
SCHEMBL4746737 0.91 HRH3 (0.52) HRH3MEN1KMT2A
SCHEMBL21026135 0.83 HRH3 (0.55) HRH3MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL7372506 0.82 HRH3 (0.62) HRH3MEN1KMT2AHRH4KCNH2
SCHEMBL4743280 0.79 KCNA5 (0.51) HRH3MEN1KMT2A
SCHEMBL4746716 0.79 HRH3 (0.58) HRH3MEN1KMT2A
SCHEMBL4743334 0.78 HRH3 (0.55) HRH3MEN1KMT2A
SCHEMBL4743279 0.78 KCNA5 (0.52) HRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL7372502 0.78 HRH3 (0.62) HRH3MEN1KMT2AHRH4NPC1
SCHEMBL4743288 0.77 HRH3 (0.56) HRH3MEN1KMT2AHRH4HRH1
SCHEMBL4743111 0.77 HRH3 (0.56) HRH3MEN1KMT2AHRH4HRH1

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
WO-2008107320-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO disclosed