SCHEMBL8484661

SCHEMBL8484661

O=C(CCC1CCCC[N]1)N1CCN(C2CCN(Cc3ccccc3)C2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.51
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 6/20 0.48
MAPT P10636 1/20 0.47
HIF1A Q16665 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
CHRM1 P11229 1/20 0.41

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
SCHEMBL8484117 0.95 ACHE (0.57) ACHEKDM4EALDH1A1MAPTHIF1A
SCHEMBL8481052 0.79 KMT2A (0.43) KDM4EALDH1A1MAPTHIF1AHRH3
SCHEMBL8483277 0.76 KMT2A (0.45) KDM4EALDH1A1MAPTHIF1AHRH3
SCHEMBL8483963 0.76 ACHE (0.57) ACHEKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL13812393 0.76 ACHE (0.57) ACHEKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL8483969 0.76 ACHE (0.57) ACHEKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL8484583 0.74 KMT2A (0.42) KDM4EALDH1A1MAPTHIF1AHRH3
SCHEMBL3594265 0.73 ALDH1A1 (0.56) ACHEKDM4EALDH1A1HRH3CHRM1
SCHEMBL8480820 0.73 CHRM4 (0.60) ACHEKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL9058966 0.73 ACHE (0.60) ACHEKDM4EALDH1A1MAPTHIF1A

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