SCHEMBL7997970

SCHEMBL7997970

CCOC(=O)C(=CN[C@@H]1C[C@@H]1F)C(=O)c1c(C)c(F)c(F)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CYP2D6 P10635 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
DHODH Q02127 2/20 0.33
CYP3A4 P08684 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
GAA P10253 3/20 0.32

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
SCHEMBL7997968 1.00 NPSR1 (0.34) NPSR1MAPTMEN1KMT2ACYP2D6
SCHEMBL9096741 0.94 CYP2D6 (0.36) NPSR1MAPTMEN1KMT2ACYP2D6
SCHEMBL9096745 0.94 CYP2D6 (0.36) NPSR1MAPTMEN1KMT2ACYP2D6
SCHEMBL9096749 0.94 CYP2D6 (0.36) NPSR1MAPTMEN1KMT2ACYP2D6
SCHEMBL8006995 0.86 MAPT (0.34) NPSR1MAPTMEN1KMT2ACYP2D6
SCHEMBL8006993 0.86 MAPT (0.34) NPSR1MAPTMEN1KMT2ACYP2D6
SCHEMBL13483599 0.85 MAPT (0.36) NPSR1MAPTMEN1KMT2ACYP2D6
SCHEMBL8111818 0.85 TAS1R3 (0.36) NPSR1MAPTMEN1KMT2ACYP2D6
SCHEMBL8111817 0.85 TAS1R3 (0.36) NPSR1MAPTMEN1KMT2ACYP2D6
SCHEMBL8111880 0.82 CYP2D6 (0.45) NPSR1MAPTMEN1KMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593766-B1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI SEIYAKU CO (JP) 2000-09-06 EP disclosed
US-5696132-A MICROBIOCIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-12-09 US disclosed
EP-0593766-A1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed