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SCHEMBL3652253

SCHEMBL3652253

CNC(=O)OC(c1cc(Br)c(S(=O)(=O)c2cccc(F)c2)s1)C(C)(C)C.CNC(=O)OCc1cc(-c2cccnc2F)c(S(=O)(=O)c2cccc(F)c2)s1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.32
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR7 P34969 1/20 0.31

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
SCHEMBL3647878 0.84 ABCC9 (0.38) HTR6
Hydrochloric Acid SCHEMBL3650276 0.80 HTR6 (0.34) HTR6
SCHEMBL3650322 0.80 NFE2L2 (0.38) —
SCHEMBL3653602 0.79 NAT1 (0.31) —
Hydrochloric Acid SCHEMBL3649192 0.79 NR3C1 (0.36) —
SCHEMBL3654769 0.79 RXFP1 (0.31) —
SCHEMBL3654637 0.78 NR3C1 (0.38) —
SCHEMBL3803807 0.78 ALDH1A1 (0.31) —
SCHEMBL3650372 0.78 NR3C1 (0.35) —
SCHEMBL3648322 0.76 ALDH1A1 (0.31) —

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-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 — — EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 — — WO disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 — — WO disclosed