SCHEMBL3377781

SCHEMBL3377781

CN(CC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1)S(=O)(=O)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
P2RX7 Q99572 1/20 0.36
CXCR4 P61073 2/20 0.34
KCNH2 Q12809 2/20 0.33
SCN9A Q15858 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
CYP2D6 P10635 2/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 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
SCHEMBL3376016 0.99 KDM4E (0.39) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL3378215 0.93 CYP2A13 (0.39) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL3376045 0.89 KDM4E (0.41) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL3378045 0.88 KDM4E (0.40) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL3377477 0.86 KDM4E (0.39) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL3380056 0.86 CXCR4 (0.45) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL3377771 0.86 KDM4E (0.38) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL3379302 0.85 CXCR4 (0.42) ALDH1A1KDM4EPOLBHRH3CXCR4
SCHEMBL3377736 0.84 SMN1; SMN2 (0.38) ALDH1A1KDM4EPOLBHRH3CXCR4
SCHEMBL3379997 0.84 CXCR4 (0.41) ALDH1A1KDM4EPOLBKMT2AMEN1

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