SCHEMBL16372251

SCHEMBL16372251

O=C(NC1CCC1c1ccc(Cl)cc1)c1c(F)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 9/20 0.55
▸ P2RX7 Q99572 1/20 0.47
▸ TAS1R3 Q7RTX0 2/20 0.46
▸ TAS1R1 Q7RTX1 2/20 0.46
▸ TAS1R2 Q8TE23 2/20 0.46
▸ HCRTR1 O43613 1/20 0.45
▸ MGLL Q99685 1/20 0.44
▸ PPIA P62937 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL17799682 1.00 GAA (0.55) GAAP2RX7TAS1R3TAS1R1TAS1R2
SCHEMBL15291806 0.94 L3MBTL1 (0.46) GAAP2RX7TAS1R3TAS1R1TAS1R2
SCHEMBL16392343 0.94 L3MBTL1 (0.46) GAAP2RX7TAS1R3TAS1R1TAS1R2
SCHEMBL15294774 0.94 L3MBTL1 (0.46) GAAP2RX7TAS1R3TAS1R1TAS1R2
SCHEMBL16371850 0.91 TAS1R3 (0.55) GAAP2RX7TAS1R3TAS1R1TAS1R2
SCHEMBL17799742 0.91 TAS1R3 (0.55) GAAP2RX7TAS1R3TAS1R1TAS1R2
SCHEMBL16372448 0.88 GAA (0.41) GAATAS1R3TAS1R1TAS1R2HCRTR1
SCHEMBL17799729 0.88 GAA (0.41) GAATAS1R3TAS1R1TAS1R2HCRTR1
SCHEMBL16372233 0.86 HCRTR1 (0.43) GAATAS1R3TAS1R1TAS1R2HCRTR1
SCHEMBL17799667 0.86 HCRTR1 (0.43) GAATAS1R3TAS1R1TAS1R2HCRTR1

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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