SCHEMBL9255906

SCHEMBL9255906

CC(=O)Nc1c2c(nc3ccc(C4CCCCC4)cc13)CCCC2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.50
BCHE P06276 3/20 0.50
APP P05067 2/20 0.50
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
RIPK1 Q13546 1/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL9260408 0.95 ACHE (0.49) ACHEBCHEAPPHTTGAA
SCHEMBL9257198 0.85 ACHE (0.47) ACHEBCHEAPPEGLN1
SCHEMBL9261779 0.83 ACHE (0.48) ACHEBCHEAPPTSHR
SCHEMBL9257365 0.82 ACHE (0.61) ACHEBCHEAPP
SCHEMBL9255970 0.80 ACHE (0.63) ACHEBCHEAPP
SCHEMBL9259427 0.80 ACHE (0.49) ACHEBCHEAPPGAAPOLB
SCHEMBL9252705 0.80 ACHE (0.65) ACHEHTTGAAMAPTPOLB
SCHEMBL10699871 0.79 ACHE (0.65) ACHEBCHEAPPGAAMAPT
SCHEMBL9255898 0.78 ACHE (0.47) ACHEBCHEAPPMAPT
SCHEMBL9250740 0.78 ACHE (0.53) ACHEBCHEAPPHTTGAA

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