SCHEMBL4646898

SCHEMBL4646898

O=S(=O)(NCC1CC(Oc2ccc(CN3CCCC3)c(Cl)c2)C1)c1ccc(CF)cc1CF

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SOS1 Q07889 2/20 0.34
KCNH2 Q12809 3/20 0.34
HRH1 P35367 2/20 0.34
CCR3 P51677 2/20 0.34
SCN8A Q9UQD0 4/20 0.34
SCN1B Q07699 1/20 0.34
HRH3 Q9Y5N1 3/20 0.33
SCN1A P35498 3/20 0.33
SCN5A Q14524 3/20 0.33
SLC2A1 P11166 1/20 0.33
MCHR1 Q99705 1/20 0.32
NPC1 O15118 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
SCHEMBL3416630 0.91 SOS1 (0.35) POLBMEN1KMT2ASOS1KCNH2
SCHEMBL4646472 0.84 TP53 (0.36) POLBMEN1KMT2ASCN8ASCN1A
SCHEMBL4646695 0.80 HRH3 (0.40) POLBMEN1KMT2ASOS1KCNH2
SCHEMBL4648386 0.80 ADRA1A (0.39) POLBMEN1KMT2AHRH3
SCHEMBL4648545 0.76 CCR3 (0.44) KCNH2HRH1CCR3NPC1
SCHEMBL3378463 0.75 HRH3 (0.43) POLBKCNH2HRH1CCR3HRH3
SCHEMBL3379505 0.75 HRH3 (0.43) POLBKCNH2HRH1CCR3HRH3
SCHEMBL3378456 0.75 HRH3 (0.39) POLBSOS1KCNH2HRH1CCR3
SCHEMBL3409569 0.74 ADRA1A (0.37) POLBMEN1KMT2ASCN8ASCN1B
SCHEMBL4649156 0.74 HRH3 (0.43) POLBKCNH2HRH1CCR3HRH3

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-1899296-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-03-19 EP disclosed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO disclosed