SCHEMBL4646472

SCHEMBL4646472

O=S(=O)(NCC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1)c1ccc(CF)cc1CF

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.36
ADRA1A P35348 3/20 0.35
ADRA1B P35368 3/20 0.35
SCN1A P35498 6/20 0.34
SCN8A Q9UQD0 6/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
P2RX7 Q99572 1/20 0.34
SLC2A1 P11166 1/20 0.34
SCN5A Q14524 3/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL3409569 0.91 ADRA1A (0.37) TP53ADRA1AADRA1BSCN1ASCN8A
SCHEMBL4648354 0.88 POLB (0.43) POLBKDM4EALDH1A1P2RX7MEN1
SCHEMBL4643540 0.87 POLB (0.38) ADRA1AADRA1BSCN1ASCN8APOLB
SCHEMBL4648112 0.84 SCN1A (0.39) ADRA1AADRA1BSCN1ASCN8APOLB
SCHEMBL4646898 0.84 POLB (0.36) SCN1ASCN8APOLBSLC2A1SCN5A
SCHEMBL4648701 0.82 P2RX7 (0.45) POLBALDH1A1P2RX7
SCHEMBL4646463 0.78 HDAC3 (0.44) ALDH1A1P2RX7
SCHEMBL4647815 0.76 P2RX7 (0.43) TP53POLBKDM4EALDH1A1P2RX7
SCHEMBL3378843 0.75 KDM4E (0.46) POLBKDM4EALDH1A1P2RX7MEN1
SCHEMBL3381143 0.75 KDM4E (0.46) POLBKDM4EALDH1A1P2RX7MEN1

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