SCHEMBL4648462

SCHEMBL4648462

O=S(=O)(NCCC1CC(Oc2ccc(CN3CCCC3)c(Cl)c2)C1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.41
HRH1 P35367 3/20 0.40
CCR3 P51677 3/20 0.40
KCNH2 Q12809 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
SFRP1 Q8N474 1/20 0.39
SETD7 Q8WTS6 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 3/20 0.38
LSS P48449 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
EPHX2 P34913 1/20 0.37
S1PR1 P21453 1/20 0.37
PRKX P51817 1/20 0.37
ACVR1 Q04771 1/20 0.37
S1PR5 Q9H228 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
SCHEMBL3378015 0.81 HRH3 (0.45) HRH1CCR3KCNH2ALDH1A1POLB
SCHEMBL4646695 0.78 HRH3 (0.40) HRH1CCR3KCNH2KMT2AMEN1
SCHEMBL4647478 0.76 LSS (0.47) TSHRKMT2ALSSMEN1ALDH1A1
SCHEMBL4644327 0.76 CCR3 (0.47) CCR3
SCHEMBL3380045 0.75 HRH3 (0.44) HRH1CCR3KCNH2ALDH1A1POLB
SCHEMBL3379505 0.75 HRH3 (0.43) HRH1CCR3KCNH2ALDH1A1POLB
SCHEMBL3378463 0.75 HRH3 (0.43) HRH1CCR3KCNH2ALDH1A1POLB
SCHEMBL3416630 0.75 SOS1 (0.35) HRH1CCR3KCNH2KMT2AMEN1
SCHEMBL3376588 0.75 HRH3 (0.44) HRH1CCR3KCNH2ALDH1A1POLB
SCHEMBL3377859 0.74 HRH3 (0.44) HTR7HRH1CCR3ALDH1A1POLB

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 claimed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO claimed