SCHEMBL15955764

SCHEMBL15955764

C[C@H]1CCCC[C@H]1NC(=O)c1ccnc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 16/20 1.00
TAS1R1 Q7RTX1 15/20 1.00
TAS1R2 Q8TE23 14/20 1.00
MLYCD O95822 1/20 0.55
GAA P10253 1/20 0.51
GFER P55789 1/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL15962706 1.00 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2MLYCDGAA
SCHEMBL15956230 1.00 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2MLYCDGAA
SCHEMBL704087 1.00 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2MLYCDGAA
SCHEMBL15956105 1.00 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2MLYCDGAA
SCHEMBL15955931 1.00 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2MLYCDGAA
SCHEMBL2862600 0.97 TAS1R3 (0.95) TAS1R3TAS1R1TAS1R2MLYCDGAA
SCHEMBL15962719 0.90 TAS1R3 (0.81) TAS1R3TAS1R1TAS1R2
SCHEMBL15962653 0.90 TAS1R3 (0.81) TAS1R3TAS1R1TAS1R2
SCHEMBL15962714 0.90 TAS1R3 (0.81) TAS1R3TAS1R1TAS1R2
SCHEMBL15956943 0.90 TAS1R3 (0.81) TAS1R3TAS1R1TAS1R2

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 1 patent. 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