SCHEMBL28199057

SCHEMBL28199057

O=C(O)C1C(=O)NCC1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
NAAA Q02083 1/20 0.41
F2RL1 P55085 4/20 0.40
KCNH2 Q12809 3/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
P2RY14 Q15391 2/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR2C P28335 1/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
TACR1 P25103 1/20 0.38
SLC6A9 P48067 1/20 0.38

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
SCHEMBL20576984 1.00 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4NAAAF2RL1
SCHEMBL28254655 0.87 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4NAAAF2RL1
SCHEMBL30035728 0.83 HTR2C (0.46) SLC6A3SLC6A2F2RL1HTR2C
SCHEMBL20714783 0.83 HTR2C (0.46) SLC6A3SLC6A2F2RL1HTR2C
SCHEMBL28198454 0.83 HTR2C (0.46) SLC6A3SLC6A2F2RL1HTR2C
SCHEMBL25380742 0.83 HTR2C (0.46) SLC6A3SLC6A2F2RL1HTR2C
SCHEMBL30592749 0.83 HTR2C (0.46) SLC6A3SLC6A2F2RL1HTR2C
SCHEMBL18129435 0.83 HTR2C (0.46) SLC6A3SLC6A2F2RL1HTR2C
SCHEMBL18227988 0.83 PDE4A (0.48) SLC6A2NAAAF2RL1KCNH2GPBAR1
SCHEMBL30592068 0.81 SLC6A3 (0.38) SLC6A3SLC6A2F2RL1

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
CN-107592862-A Aryl-substituted bicyclic compounds as herbicides 杜邦公司 2018-01-16 CN disclosed