SCHEMBL8484114

SCHEMBL8484114

CC(C(=O)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1)C1CCCC[N]1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 6/20 0.51
ACHE P22303 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
RECQL P46063 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
KMT2A Q03164 2/20 0.47
CHRM1 P11229 1/20 0.47
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.45

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 0.77 ACHE (0.57) ALDH1A1KDM4EACHESMN1; SMN2RECQL
SCHEMBL24163287 0.76 KDM4E (0.64) ALDH1A1KDM4EACHESMN1; SMN2RECQL
SCHEMBL3959065 0.75 ACHE (0.66) ALDH1A1KDM4EACHESMN1; SMN2RECQL
SCHEMBL3599380 0.75 ACHE (0.69) ALDH1A1KDM4EACHESMN1; SMN2RECQL
SCHEMBL8481049 0.75 L3MBTL3 (0.36) ALDH1A1HRH3CHRM1
SCHEMBL24163317 0.72 RECQL (0.69) ALDH1A1KDM4EACHESMN1; SMN2RECQL
SCHEMBL8486539 0.72 HTR6 (0.36) HRH3
SCHEMBL8484661 0.72 ACHE (0.51) ALDH1A1KDM4EACHESMN1; SMN2HRH3
SCHEMBL13812393 0.71 ACHE (0.57) ALDH1A1KDM4EACHESMN1; SMN2RECQL
SCHEMBL3709310 0.71 RECQL (0.70) ALDH1A1KDM4EACHESMN1; SMN2RECQL

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