SCHEMBL28945247

SCHEMBL28945247

N#C[C@@H](N)Cc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.50
TAAR1 Q96RJ0 4/20 0.47
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
DPP4 P27487 5/20 0.45
DPP8 Q6V1X1 3/20 0.45
DPP9 Q86TI2 3/20 0.45
DPP7 Q9UHL4 3/20 0.45
FAP Q12884 1/20 0.43
MIF P14174 1/20 0.42
ROCK1 Q13464 1/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MAOB P27338 2/20 0.39

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
SCHEMBL3211882 0.82 SLC1A1 (0.54) SLC1A1TAAR1IDO1AGXTDPP4
SCHEMBL3211873 0.82 SLC1A1 (0.54) SLC1A1TAAR1IDO1AGXTDPP4
SCHEMBL5972960 0.82 SLC1A1 (0.54) SLC1A1TAAR1IDO1AGXTDPP4
SCHEMBL5972954 0.82 SLC1A1 (0.54) SLC1A1TAAR1IDO1AGXTDPP4
SCHEMBL1443814 0.81 TAAR1 (0.46) SLC1A1TAAR1IDO1AGXTDPP4
Hydrochloric Acid SCHEMBL3064814 0.81 SLC1A1 (0.53) SLC1A1TAAR1IDO1AGXTDPP4
SCHEMBL28455100 0.79 PNMT (0.62) TAAR1IDO1AGXTCTSSCTSK
SCHEMBL16078805 0.79 TAAR1 (0.47) TAAR1IDO1CTSSCTSK
SCHEMBL2683335 0.79 SLC1A1 (0.46) SLC1A1TAAR1IDO1AGXTDPP4
SCHEMBL8495801 0.79 MIF (0.46) SLC1A1TAAR1IDO1AGXTDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111620860-B Preparation method of furosemide 济南健丰化工有限公司 2023-02-03 CN claimed
CN-111620860-A Preparation method of furosemide 苏州明锐医药科技有限公司 2020-09-04 CN claimed
CN-111620860-B Preparation method of furosemide 济南健丰化工有限公司 2023-02-03 CN disclosed
CN-111620860-A Preparation method of furosemide 苏州明锐医药科技有限公司 2020-09-04 CN disclosed