SCHEMBL3378145

SCHEMBL3378145

COc1c(CN2CCCC2)cccc1OC1CC(CN(C)C(=O)OC2CCOCC2)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
ALDH1A1 P00352 6/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BCHE P06276 1/20 0.37

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
SCHEMBL3377159 0.89 HRH3 (0.41) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL3377536 0.89 KMT2A (0.38) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL3377861 0.86 KDM4E (0.43) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL3380259 0.82 HRH3 (0.45) KDM4EMEN1KMT2AALDH1A1BCHE
SCHEMBL3380644 0.81 ALDH1A1 (0.39) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL3380460 0.80 KCNH2 (0.45) KDM4EMEN1KMT2AMAPTBCHE
SCHEMBL3380792 0.80 HRH3 (0.39) KDM4EALDH1A1BCHE
SCHEMBL3377352 0.79 HRH3 (0.51) KMT2ABCHE
Hydrochloric Acid SCHEMBL3378364 0.78 HRH3 (0.41) KDM4ETSHRMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3378366 0.78 HRH3 (0.41) KDM4ETSHRMEN1KMT2AALDH1A1

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
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP claimed