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SCHEMBL3696121

SCHEMBL3696121

CN(Cc1cc(S(=O)(=O)c2ccccc2)n(-c2cccnc2C#N)n1)C(=O)OC(C)(C)C.CN(Cc1cc(S(=O)(=O)c2ccccc2)n(-c2cccnc2Cl)n1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 7/20 0.41
▸ SLC6A4 P31645 7/20 0.41
▸ SLC16A3 O15427 5/20 0.34
▸ SLC16A1 P53985 5/20 0.34
▸ HTR2A P28223 1/20 0.32
▸ SLC5A1 P13866 1/20 0.31
▸ F2 P00734 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ PTGDR2 Q9Y5Y4 1/20 0.30
▸ MCTS1 Q9ULC4 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
SCHEMBL3698416 0.95 HTR2C (0.42) HTR2CSLC6A4SLC16A3SLC16A1HTR2A
SCHEMBL3696127 0.85 P2RX7 (0.32) SLC16A3SLC16A1SLC5A1PTGDR2
SCHEMBL4137765 0.84 NAMPT (0.33) SLC16A3SLC16A1PTGDR2
SCHEMBL3700738 0.84 HTR2C (0.44) HTR2CSLC6A4SLC16A3SLC16A1HTR2A
SCHEMBL3697758 0.82 HTR2C (0.43) HTR2CSLC6A4SLC16A3SLC16A1HTR2A
SCHEMBL4135832 0.82 SLC16A3 (0.36) SLC16A3SLC16A1RXFP1PTGDR2
SCHEMBL476394 0.80 HTR2C (0.37) HTR2CSLC6A4HTR2A
SCHEMBL3696124 0.79 CNR1 (0.31) SLC16A3SLC16A1SLC5A1PTGDR2
SCHEMBL3698418 0.79 PTGDR2 (0.32) SLC16A3SLC16A1PTGDR2
SCHEMBL3697997 0.79 HTR2C (0.41) HTR2CSLC6A4SLC16A3SLC16A1HTR2A

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