SCHEMBL3797395

SCHEMBL3797395

O=C(c1ccc(Cn2cccn2)cc1)C1CCCN1C1CCNC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 4/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35

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
SCHEMBL4765934 0.80 MGLL (0.40) ALDH1A1LMNAKDM4E
SCHEMBL2879390 0.79 RECQL (0.42) HRH3KMT2AMEN1HTTGAA
SCHEMBL2884746 0.79 HRH3 (0.51) HRH3HDAC1HDAC6KMT2A
SCHEMBL4764592 0.76 HRH3 (0.54) HRH3HDAC1HDAC6
SCHEMBL4791769 0.75 HRH3 (0.38) HRH3HDAC1HDAC6KMT2AMEN1
SCHEMBL4792764 0.75 ADAM17 (0.46) HRH3KMT2AMEN1HTTMAPT
SCHEMBL3841290 0.74 ALDH1A1 (0.47) HTTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL4724233 0.74 HPGD (0.54) HDAC1HDAC6KMT2AGAAALDH1A1
SCHEMBL4792689 0.73 CDK9 (0.44) HRH3NPSR1HTTALDH1A1SMN1; SMN2
SCHEMBL4793189 0.73 HRH3 (0.40) HRH3HTTSMN1; SMN2

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-2010133544-A1 PIPERAZINE AND AMINOPYRROLIDINE COMPOUNDS AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2010-11-25 — — WO disclosed
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