SCHEMBL3379338

SCHEMBL3379338

CNC(=O)OCC1CC(Oc2cc(Cl)c(CN3CCCC3)cc2Cl)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
CHEK1 O14757 1/20 0.38
RPS6KB1 P23443 1/20 0.38
FLT4 P35916 1/20 0.38
FLT3 P36888 1/20 0.38
RPS6KA3 P51812 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
SCN9A Q15858 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.34
ACHE P22303 5/20 0.33
BCHE P06276 4/20 0.33
MAOB P27338 2/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL3379341 1.00 HRH3 (0.38) HRH3CHEK1RPS6KB1FLT4FLT3
SCHEMBL3380494 0.82 RORC (0.38) KDM4EALDH1A1ACHEBCHEMAOB
SCHEMBL3380491 0.82 RORC (0.38) KDM4EALDH1A1ACHEBCHEMAOB
SCHEMBL3376555 0.82 HRH3 (0.38) HRH3CHEK1RPS6KB1FLT4FLT3
SCHEMBL3376557 0.82 HRH3 (0.38) HRH3CHEK1RPS6KB1FLT4FLT3
SCHEMBL3442154 0.80 HRH3 (0.36) HRH3CHEK1RPS6KB1FLT4FLT3
SCHEMBL3377216 0.80 HRH3 (0.39) HRH3CHEK1RPS6KB1FLT4FLT3
SCHEMBL3442149 0.78 HRH3 (0.52) HRH3CHEK1RPS6KB1FLT4FLT3
SCHEMBL3442151 0.78 HRH3 (0.52) HRH3CHEK1RPS6KB1FLT4FLT3
SCHEMBL3379717 0.78 KDM4E (0.37) HRH3CHEK1RPS6KB1FLT4FLT3

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 3 patents. 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
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