SCHEMBL3409569

SCHEMBL3409569

O=S(=O)(NCC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1)c1cc(CF)c(CF)cc1CF

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.37
ADRA1B P35368 4/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
P2RX7 Q99572 1/20 0.35
SCN1A P35498 9/20 0.34
SCN8A Q9UQD0 9/20 0.34
SCN5A Q14524 7/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NR1I2 O75469 1/20 0.33
SCN1B Q07699 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4646472 0.91 TP53 (0.36) ADRA1AADRA1BKDM4EALDH1A1POLB
SCHEMBL4643540 0.89 POLB (0.38) ADRA1AADRA1BKDM4EALDH1A1POLB
SCHEMBL4648112 0.86 SCN1A (0.39) ADRA1AADRA1BKDM4EALDH1A1POLB
SCHEMBL4648354 0.85 POLB (0.43) KDM4EALDH1A1POLBP2RX7MEN1
SCHEMBL3416630 0.83 SOS1 (0.35) ADRA1AADRA1BALDH1A1POLBSCN1A
SCHEMBL4648508 0.78 ALDH1A1 (0.40) ALDH1A1POLBP2RX7MEN1KMT2A
SCHEMBL4647815 0.78 P2RX7 (0.43) KDM4EALDH1A1POLBP2RX7TP53
SCHEMBL3378843 0.77 KDM4E (0.46) KDM4EALDH1A1POLBP2RX7MEN1
SCHEMBL3381143 0.77 KDM4E (0.46) KDM4EALDH1A1POLBP2RX7MEN1
SCHEMBL3378836 0.76 KDM4E (0.43) KDM4EALDH1A1POLBP2RX7MEN1

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