SCHEMBL27640248

SCHEMBL27640248

CCOC(CC(N)=Cc1ccc(Br)cc1)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MAPT P10636 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ S1PR4 O95977 1/20 0.45
▸ S1PR1 P21453 1/20 0.45
▸ PTGS2 P35354 3/20 0.36
▸ BCHE P06276 2/20 0.35
▸ ACHE P22303 2/20 0.35
▸ MAOB P27338 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ PTPN1 P18031 1/20 0.32
▸ TP53 P04637 2/20 0.31

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
SCHEMBL1681424 0.80 KMT2A (0.50) LMNAKMT2AMAPTMEN1NPSR1
SCHEMBL4298832 0.68 KMT2A (0.40) LMNAKMT2AMAPTMEN1NPSR1
SCHEMBL1681425 0.68 KMT2A (0.40) LMNAKMT2AMAPTMEN1NPSR1
SCHEMBL13516238 0.66 PPARA (0.42) —
SCHEMBL13130618 0.66 KMT2A (0.56) LMNAKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL569625 0.64 LMNA (0.43) LMNAKMT2AMAPTMEN1NPSR1
SCHEMBL4137634 0.63 ALOX15 (0.40) LMNAKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL6770448 0.63 KMT2A (0.49) LMNAKMT2AMAPTMEN1NPSR1
SCHEMBL6770445 0.63 KMT2A (0.49) LMNAKMT2AMAPTMEN1NPSR1
SCHEMBL7931858 0.62 PPARA (0.39) KMT2AMAPTMEN1MAOBNPC1

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
CN-1863793-A Cyclic tertiary amine compound SANKYO CO (JP) 2006-11-15 — — CN disclosed
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