SCHEMBL3416630

SCHEMBL3416630

O=S(=O)(NCC1CC(Oc2ccc(CN3CCCC3)c(Cl)c2)C1)c1cc(CF)c(CF)cc1CF

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HRH1 P35367 1/20 0.34
CCR3 P51677 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN1A P35498 5/20 0.34
SCN5A Q14524 5/20 0.34
SCN8A Q9UQD0 5/20 0.34
EPHX2 P34913 3/20 0.33
ALDH1A1 P00352 1/20 0.33
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 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
SCHEMBL4646898 0.91 POLB (0.36) SOS1HRH3POLBMEN1KMT2A
SCHEMBL4648386 0.83 ADRA1A (0.39) HRH3POLBMEN1KMT2AEPHX2
SCHEMBL3409569 0.83 ADRA1A (0.37) POLBMEN1KMT2ASCN1ASCN5A
SCHEMBL4646695 0.82 HRH3 (0.40) SOS1HRH3POLBMEN1KMT2A
SCHEMBL3378463 0.77 HRH3 (0.43) HRH3POLBHRH1CCR3KCNH2
SCHEMBL3379505 0.77 HRH3 (0.43) HRH3POLBHRH1CCR3KCNH2
SCHEMBL3378456 0.77 HRH3 (0.39) SOS1HRH3POLBHRH1CCR3
SCHEMBL4649156 0.76 HRH3 (0.43) HRH3POLBHRH1CCR3KCNH2
SCHEMBL4648112 0.75 SCN1A (0.39) POLBMEN1KMT2ASCN1ASCN8A
SCHEMBL4648462 0.75 HTR7 (0.41) SOS1POLBMEN1KMT2AHRH1

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 disclosed