SCHEMBL3376016

SCHEMBL3376016

CN(CC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1)S(=O)(=O)N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
HRH3 Q9Y5N1 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
P2RX7 Q99572 1/20 0.34
CXCR4 P61073 2/20 0.33
CYP2D6 P10635 3/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN9A Q15858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL3377781 0.99 ALDH1A1 (0.41) KDM4EALDH1A1POLBHRH3MEN1
SCHEMBL3378215 0.94 CYP2A13 (0.39) KDM4EALDH1A1POLBHRH3MEN1
SCHEMBL3376045 0.90 KDM4E (0.41) KDM4EALDH1A1POLBHRH3MEN1
SCHEMBL3378045 0.89 KDM4E (0.40) KDM4EALDH1A1POLBHRH3MEN1
SCHEMBL3377477 0.87 KDM4E (0.39) KDM4EALDH1A1POLBHRH3MEN1
SCHEMBL3380056 0.87 CXCR4 (0.45) KDM4EALDH1A1POLBHRH3MEN1
SCHEMBL3377771 0.87 KDM4E (0.38) KDM4EALDH1A1POLBHRH3MEN1
SCHEMBL3379302 0.86 CXCR4 (0.42) KDM4EALDH1A1POLBHRH3CXCR4
SCHEMBL3377736 0.85 SMN1; SMN2 (0.38) KDM4EALDH1A1POLBHRH3CXCR4
SCHEMBL3379997 0.85 CXCR4 (0.41) KDM4EALDH1A1POLBHRH3MEN1

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