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SCHEMBL3704722

SCHEMBL3704722

CN(Cc1cc(Br)c(S(=O)(=O)c2ccccc2)s1)C(=O)OC(C)(C)C.CN(Cc1cc(N2CCCCC2=O)c(S(=O)(=O)c2ccccc2)s1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.31
▸ SLC6A4 P31645 4/20 0.31
▸ NMT1 P30419 1/20 0.30

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
SCHEMBL4131329 0.93 HTR2C (0.35) HTR2CSLC6A4NMT1
SCHEMBL3704724 0.88 GAA (0.30) NMT1
SCHEMBL4137780 0.87 NMT1 (0.36) NMT1
SCHEMBL3704723 0.85 NMT1 (0.30) NMT1
SCHEMBL3654644 0.83 HTR2C (0.38) HTR2CSLC6A4
Carbamic Acid SCHEMBL3651234 0.81 HTR2C (0.37) HTR2CSLC6A4
SCHEMBL4126794 0.77 CA12 (0.39) —
SCHEMBL4029596 0.74 HTR6 (0.37) HTR2CSLC6A4
SCHEMBL3651795 0.73 MEP1B (0.38) —
Hydrochloric Acid SCHEMBL4132114 0.72 CACNA2D1 (0.36) NMT1

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