SCHEMBL7718441

SCHEMBL7718441

Cc1cc2ccc(F)cc2c(Nc2ccc(C[C@](C)(Nc3c(N4[C@H](C)CC[C@@H]4C)c(=O)c3=O)C(=O)O)cc2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ATM Q13315 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
ABL1 P00519 1/20 0.31
P2RX3 P56373 1/20 0.31
PER2 O15055 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL7716464 0.91 MAPT (0.34) MAPTMEN1KMT2AP2RX3
SCHEMBL7716162 0.82 ITGB1 (0.39)
SCHEMBL7716166 0.82 ITGB1 (0.39)
SCHEMBL7716156 0.82 ITGB1 (0.39)
SCHEMBL7716187 0.81 MAPT (0.35) MAPTMEN1KMT2AP2RX3
SCHEMBL7716184 0.81 MAPT (0.35) MAPTMEN1KMT2AP2RX3
SCHEMBL7718440 0.80 MAPT (0.34) MAPTKDM4EALDH1A1GAAMEN1
SCHEMBL7718435 0.80 MAPT (0.34) MAPTKDM4EALDH1A1GAAMEN1
SCHEMBL7716161 0.79 MAPT (0.36) MAPTKDM4EALDH1A1GAAMEN1
SCHEMBL7718437 0.78 ADRA2A (0.33) ADRA2AADRA2BADRA2CMAPTKDM4E

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
US-6403608-B1 ANTIINFLAMMATORY AND IMMUNE DISORDERS CELLTECH R&D, LTD. (GB) 2002-06-11 US disclosed