SCHEMBL3380644

SCHEMBL3380644

COc1c(CN2CCCC2)cccc1OC1CC(CN(C)C(=O)Oc2c(C)noc2C)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 6/20 0.38
TSHR P16473 1/20 0.38
TAS2R8 Q9NYW2 2/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
CYP2C9 P11712 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL3378689 0.91 HRH3 (0.39) ALDH1A1CYP2D6CYP3A4KDM4ETAS2R8
SCHEMBL3380116 0.91 CYP2D6 (0.36) ALDH1A1CYP2D6CYP3A4TAS2R8MEN1
SCHEMBL3375226 0.83 HRH3 (0.42) LMNAHRH3
SCHEMBL3377861 0.82 KDM4E (0.43) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL3378145 0.81 KDM4E (0.45) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL3377365 0.81 HRH3 (0.47) LMNAHRH3
SCHEMBL3381390 0.78 HTR2C (0.33) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL3377874 0.77 HRH3 (0.39) ALDH1A1KDM4EMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL3380517 0.77 CYP2D6 (0.42) ALDH1A1CYP2D6CYP3A4TSHRMEN1
Hydrochloric Acid SCHEMBL3380519 0.77 CYP2D6 (0.42) ALDH1A1CYP2D6CYP3A4TSHRMEN1

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