SCHEMBL16372233

SCHEMBL16372233

O=C(NC1CCC1c1ccc(Cl)cc1)c1c(F)cccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 6/20 0.43
▸ TAS1R3 Q7RTX0 3/20 0.40
▸ TAS1R1 Q7RTX1 3/20 0.40
▸ TAS1R2 Q8TE23 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ ACKR3 P25106 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ SSTR4 P31391 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ STIM1 Q13586 1/20 0.38
▸ ORAI1 Q96D31 1/20 0.38
▸ ADRA2A P08913 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD5 P21918 1/20 0.37

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
SCHEMBL17799667 1.00 HCRTR1 (0.43) HCRTR1TAS1R3TAS1R1TAS1R2GAA
SCHEMBL15291806 0.89 L3MBTL1 (0.46) HCRTR1TAS1R3TAS1R1TAS1R2GAA
SCHEMBL16392343 0.89 L3MBTL1 (0.46) HCRTR1TAS1R3TAS1R1TAS1R2GAA
SCHEMBL15294774 0.89 L3MBTL1 (0.46) HCRTR1TAS1R3TAS1R1TAS1R2GAA
SCHEMBL17799682 0.86 GAA (0.55) HCRTR1TAS1R3TAS1R1TAS1R2GAA
SCHEMBL16372251 0.86 GAA (0.55) HCRTR1TAS1R3TAS1R1TAS1R2GAA
SCHEMBL16372225 0.86 GAA (0.41) HCRTR1TAS1R3TAS1R1TAS1R2GAA
SCHEMBL17799729 0.84 GAA (0.41) HCRTR1TAS1R3TAS1R1TAS1R2GAA
SCHEMBL16372448 0.84 GAA (0.41) HCRTR1TAS1R3TAS1R1TAS1R2GAA
SCHEMBL15282152 0.82 HCRTR1 (0.48) HCRTR1TAS1R3TAS1R1TAS1R2GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019476-A1 4-MEMBERED RING CARBOXAMIDES USED AS NEMATICIDES Syngenta Participations AG (CH) 2016-05-18 — — EP disclosed
WO-2015003951-A1 4-MEMBERED RING CARBOXAMIDES USED AS NEMATICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-01-15 — — WO disclosed
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