SCHEMBL8524717

SCHEMBL8524717

NC(=O)CCCC1CNc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.47
SRC P12931 1/20 0.47
HDAC6 Q9UBN7 1/20 0.39
CCKBR P32239 2/20 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
SCHEMBL12115366 0.92 EGFR (0.51) EGFRSRCCCKBR
SCHEMBL8524579 0.88 EGFR (0.52) EGFRHDAC6CCKBR
SCHEMBL5635451 0.83 HSD17B10 (0.43) EGFRSRCCCKBR
SCHEMBL6890519 0.81 EGFR (0.50) EGFRCCKBR
SCHEMBL14610590 0.81 CCKBR (0.39) HDAC6CCKBR
SCHEMBL19149276 0.81 HTR2A (0.45) CCKBR
SCHEMBL31366241 0.81 CCKBR (0.39) HDAC6CCKBR
SCHEMBL12397032 0.80 MTNR1A (0.40) CCKBR
SCHEMBL7074697 0.78 BCHE (0.48) CCKBR
SCHEMBL5539765 0.78 CCKBR (0.39) HDAC6CCKBR

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-1999062900-A1 OXINDOLE DERIVATIVES USED AS NEUROKININ RECEPTOR ANTAGONISTS SANOFI-SYNTHELABO (FR) 1999-12-09 WO disclosed