SCHEMBL15955944

SCHEMBL15955944

CC1CCCC(NC(=O)c2ccnc(F)c2)C1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.62
TAS1R1 Q7RTX1 3/20 0.62
TAS1R2 Q8TE23 3/20 0.62
GRM5 P41594 15/20 0.52
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
PREP P48147 1/20 0.46
FAP Q12884 1/20 0.46

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
SCHEMBL15962652 1.00 TAS1R3 (0.62) TAS1R3TAS1R1TAS1R2GRM5CA12
SCHEMBL15962659 0.84 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2GRM5PREP
SCHEMBL2856419 0.84 TAS1R3 (0.67) TAS1R3TAS1R1TAS1R2GRM5
SCHEMBL15962716 0.83 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2GRM5PREP
SCHEMBL15962658 0.82 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2GRM5PREP
SCHEMBL15962660 0.80 TAS1R3 (0.53) TAS1R3TAS1R1TAS1R2PREPFAP
SCHEMBL2862600 0.80 TAS1R3 (0.95) TAS1R3TAS1R1TAS1R2
SCHEMBL2452482 0.79 CA12 (0.54) TAS1R3TAS1R1TAS1R2GRM5CA12
SCHEMBL517369 0.79 CA12 (0.64) GRM5CA12CA9
SCHEMBL516790 0.79 CA12 (0.55) GRM5CA12CA9

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
WO-2014124988-A1 PYRIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2014-08-21 WO disclosed
WO-2014124988-A1 PYRIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2014-08-21 WO disclosed