SCHEMBL5236853

SCHEMBL5236853

CN(Cc1ccn(Cc2ccccc2)c(=O)c1O)CC1OCCO1.O=c1c(O)c(CN2CCC(O)C2)ccn1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 12/20 0.53
EGLN1 Q9GZT9 12/20 0.53
ALDH1A1 P00352 1/20 0.38
MCHR1 Q99705 2/20 0.37
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL271708 0.88 EGLN1 (0.54) VEGFAEGLN1ALDH1A1
SCHEMBL277620 0.85 EGLN1 (0.71) VEGFAEGLN1ALDH1A1MCHR1
SCHEMBL15255387 0.76 EGLN1 (0.70) VEGFAEGLN1
SCHEMBL12601411 0.73 VEGFA (0.69) VEGFAEGLN1ALDH1A1MCHR1OPRK1
SCHEMBL12650036 0.72 VEGFA (0.50) VEGFAEGLN1ALDH1A1OPRM1OPRK1
SCHEMBL272076 0.71 VEGFA (0.85) VEGFAEGLN1ALDH1A1
SCHEMBL272666 0.71 VEGFA (0.81) VEGFAEGLN1ALDH1A1
SCHEMBL272116 0.71 VEGFA (0.85) VEGFAEGLN1ALDH1A1
SCHEMBL278202 0.71 VEGFA (1.00) VEGFAEGLN1ALDH1A1
SCHEMBL12598863 0.71 EGLN1 (0.63) VEGFAEGLN1

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-1558579-B1 N-ALKYL-4-METHYLENEAMINO-3-HYDROXY-2-PYRIDONES AS ANTIMICROBIALS PROCTER & GAMBLE (US) 2007-09-12 EP claimed