SCHEMBL21667235

SCHEMBL21667235

CC[C@H]1CCCN1Cc1ccn(Cc2ccccc2)c(=O)c1O

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 12/20 0.79
▸ EGLN1 Q9GZT9 12/20 0.79
▸ TP53 P04637 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ DRD2 P14416 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL12598822 0.90 VEGFA (0.84) VEGFAEGLN1
SCHEMBL278429 0.88 VEGFA (1.00) VEGFAEGLN1DRD2DRD3
SCHEMBL1772403 0.88 VEGFA (1.00) VEGFAEGLN1DRD2DRD3
SCHEMBL12598821 0.88 EGLN1 (1.00) VEGFAEGLN1
SCHEMBL15314767 0.83 VEGFA (0.68) VEGFAEGLN1TP53KDM4ECYP2D6
SCHEMBL12598820 0.81 EGLN1 (0.70) VEGFAEGLN1SMN1; SMN2NPSR1
SCHEMBL273125 0.81 VEGFA (0.70) VEGFAEGLN1SMN1; SMN2ALDH1A1
SCHEMBL17340686 0.80 VEGFA (0.70) VEGFAEGLN1TP53DRD2DRD3
SCHEMBL30274428 0.78 EGLN1 (0.63) VEGFAEGLN1LMNAKDM4EALDH1A1
SCHEMBL277774 0.78 EGLN1 (0.63) VEGFAEGLN1LMNAKDM4EALDH1A1

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-3603644-A1 PROLYL HYDROXYLASE INHIBITORS Aerpio Therapeutics, Inc. (US) 2020-02-05 — — EP disclosed
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