SCHEMBL9260408

SCHEMBL9260408

CC(=O)Nc1c2c(nc3ccc(C4CC4)cc13)CCCC2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.49
BCHE P06276 3/20 0.49
APP P05067 2/20 0.49
HTT P42858 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.44
RIPK1 Q13546 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
RAD52 P43351 1/20 0.42
KMT2A Q03164 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
SCHEMBL9255906 0.95 ACHE (0.50) ACHEBCHEAPPHTTGAA
SCHEMBL9259427 0.84 ACHE (0.49) ACHEBCHEAPPGAAPOLB
SCHEMBL9252813 0.81 ACHE (0.64) ACHEBCHEAPPTSHR
SCHEMBL9261779 0.81 ACHE (0.48) ACHEBCHEAPPTSHRKMT2A
SCHEMBL9250740 0.80 ACHE (0.53) ACHEBCHEAPPHTTGAA
SCHEMBL9257198 0.80 ACHE (0.47) ACHEBCHEAPPKMT2A
SCHEMBL9261162 0.79 ACHE (0.65) ACHEBCHEAPPTSHR
SCHEMBL8472225 0.79 HTT (0.71) ACHEBCHEHTTGAAMAPT
SCHEMBL9261276 0.79 ACHE (0.68) ACHEHTTGAAMAPTPOLB
SCHEMBL9257365 0.77 ACHE (0.61) ACHEBCHEAPP

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
US-5391553-A Increasing cholinergic functionin mammals HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-02-21 US claimed
US-5391553-A Increasing cholinergic functionin mammals HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-02-21 US disclosed