SCHEMBL13635683

SCHEMBL13635683

COC(=O)c1ccc2c3ccccc3n(C3CCN(C)C3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 1/20 0.45
KIF11 P52732 1/20 0.41
PTGER4 P35408 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
CNR2 P34972 2/20 0.39
HSD11B1 P28845 1/20 0.39
PARP1 P09874 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
WDR5 P61964 1/20 0.38
NR4A2 P43354 1/20 0.38
MAPT P10636 1/20 0.38
CNR1 P21554 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
SCHEMBL13011491 1.00 SCARB1 (0.45) SCARB1KIF11PTGER4ADRA1DADRA1A
SCHEMBL13011492 1.00 SCARB1 (0.45) SCARB1KIF11PTGER4ADRA1DADRA1A
SCHEMBL3783032 0.93 SCARB1 (0.44) SCARB1KIF11PTGER4ADRA1DADRA1A
SCHEMBL13011495 0.87 KDM4E (0.49) PTGER4PARP1ALDH1A1LMNAMAPT
SCHEMBL13011493 0.87 KDM4E (0.49) PTGER4PARP1ALDH1A1LMNAMAPT
SCHEMBL3774230 0.84 HSD11B1 (0.44) SCARB1KIF11PTGER4ADRA1DADRA1A
SCHEMBL3780734 0.84 HSD11B1 (0.44) SCARB1KIF11CNR2HSD11B1PARP1
SCHEMBL3805093 0.84 ALDH1A1 (0.43) SCARB1KIF11PTGER4ADRA1DADRA1A
SCHEMBL13011205 0.83 ALDH1A1 (0.51) SCARB1KIF11PTGER4EGFRSRC
SCHEMBL13635205 0.83 ALDH1A1 (0.51) SCARB1KIF11PTGER4EGFRSRC

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
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 EP disclosed