SCHEMBL2822450

SCHEMBL2822450

Nc1ccc(N2CCN(C(=O)CCC(=O)c3ccc(O)cc3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.77
▸ GAA P10253 5/20 0.77
▸ POLB P06746 2/20 0.60
▸ KDM4E B2RXH2 2/20 0.59
▸ PKM P14618 1/20 0.59
▸ RECQL P46063 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ ME2 P23368 5/20 0.55
▸ ME1 P48163 5/20 0.55
▸ ME3 Q16798 5/20 0.55
▸ NPC1 O15118 2/20 0.52
▸ CASP6 P55212 1/20 0.51
▸ GFER P55789 1/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RAB9A P51151 1/20 0.50

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
SCHEMBL2822446 0.90 MAPT (0.77) MAPTGAAPOLBKDM4EPKM
SCHEMBL2308675 0.83 MAPT (0.55) MAPTGAAPOLBKDM4ECASP6
SCHEMBL2306481 0.79 MAPT (0.65) MAPTGAAPOLBKDM4EPKM
SCHEMBL4994240 0.79 GFER (0.61) MAPTGAAKDM4EME2ME1
SCHEMBL3083321 0.77 MAPT (0.71) MAPTGAAPOLBNPC1KMT2A
SCHEMBL3055201 0.76 MAPT (0.63) MAPTGAAPOLBKDM4EPKM
SCHEMBL188832 0.75 AKR1C3 (0.65) MAPTGAAPOLBKDM4ERECQL
SCHEMBL15650594 0.75 GFER (0.65) MAPTGAAPOLBKDM4ERECQL
SCHEMBL2308856 0.75 KMT2A (0.71) MAPTGAAPOLBKDM4EPKM
SCHEMBL3090713 0.75 POLB (0.77) MAPTGAAPOLBKDM4EL3MBTL1

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
WO-2010028776-A1 PIPERAZINE DERIVATIVES FOR BINDING AND IMAGING AMYLOID PLAQUES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-18 — — WO disclosed
EP-2163541-A1 Piperazine derivatives for binding and imaging amyloid plaques and their use Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-17 — — EP disclosed
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