SCHEMBL8484117

SCHEMBL8484117

O=C(CCC1CCCC[N]1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.57
KDM4E B2RXH2 8/20 0.52
ALDH1A1 P00352 8/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 1/20 0.50
HIF1A Q16665 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48
RECQL P46063 1/20 0.47
HTT P42858 1/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL8484661 0.95 ACHE (0.51) ACHEKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL8483277 0.79 KMT2A (0.45) KDM4EALDH1A1MAPTHIF1AHRH3
SCHEMBL9058966 0.78 ACHE (0.60) ACHEKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL8484583 0.77 KMT2A (0.42) KDM4EALDH1A1MAPTHIF1AHRH3
SCHEMBL8484114 0.77 ALDH1A1 (0.51) ACHEKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL3599380 0.76 ACHE (0.69) ACHEKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL3765810 0.76 ALDH1A1 (0.67) ACHEKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL8481052 0.75 KMT2A (0.43) KDM4EALDH1A1MAPTHIF1AHRH3
SCHEMBL3959065 0.74 ACHE (0.66) ACHEKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL9058985 0.74 KMT2A (0.61) ACHEALDH1A1SMN1; SMN2KMT2APOLB

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
US-5922717-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed