SCHEMBL8318836

SCHEMBL8318836

COc1cc(CN2CCC(CCOS(C)(=O)=O)(C(F)c3ccccc3)C2=O)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
HCRTR1 O43613 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH1 P35367 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL8810255 0.89 ALDH1A1 (0.38) MAPK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6998325 0.81 HRH1 (0.45) MAPK1MEN1KMT2AKDM4EALDH1A1
Fluorobenzene SCHEMBL27405662 0.80 HTT (0.44) MAPK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6998268 0.80 MAPK1 (0.41) MAPK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL27404103 0.79 MAPK1 (0.40) MAPK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL8319786 0.75 MAPK1 (0.43) MAPK1MEN1KMT2AALDH1A1HCRTR1
SCHEMBL6996096 0.75 ALDH1A1 (0.44) MAPK1KDM4EALDH1A1HTTL3MBTL1
SCHEMBL7981028 0.75 TP53 (0.39) MAPK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6992505 0.74 L3MBTL1 (0.43) MAPK1MEN1KMT2AALDH1A1HTT
SCHEMBL6994509 0.73 KMT2A (0.37) MAPK1MEN1KMT2AKDM4EALDH1A1

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
EP-0920425-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-06-09 EP disclosed
WO-1997019074-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-05-29 WO disclosed