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SCHEMBL3696124

SCHEMBL3696124

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

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ SLC5A1 P13866 1/20 0.31
▸ SLC16A3 O15427 1/20 0.31
▸ SLC16A1 P53985 1/20 0.31
▸ PLCG1 P19174 1/20 0.30
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL3698417 0.95 PLCG1 (0.33) CNR1P2RX7SLC5A1SLC16A3SLC16A1
SCHEMBL3700741 0.83 PTGDR2 (0.34) SLC16A3SLC16A1PTGDR2
SCHEMBL3697760 0.81 NR1I2 (0.35) P2RX7SLC16A3SLC16A1PTGDR2
SCHEMBL3696127 0.81 P2RX7 (0.32) CNR1P2RX7SLC5A1SLC16A3SLC16A1
SCHEMBL476393 0.80 APLNR (0.34) —
SCHEMBL3701582 0.80 SLC16A3 (0.38) CNR1SLC16A3SLC16A1
SCHEMBL3696121 0.79 HTR2C (0.41) SLC5A1SLC16A3SLC16A1PTGDR2
SCHEMBL476324 0.78 COMT (0.35) P2RX7PTGDR2
SCHEMBL3696894 0.78 SLC16A3 (0.44) CNR1SLC16A3SLC16A1
SCHEMBL3697998 0.78 P2RX7 (0.35) P2RX7SLC16A3SLC16A1PTGDR2

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