SCHEMBL1868340

SCHEMBL1868340

CN1CCN(Cc2ccn(Cc3cccc(F)c3)c(=O)c2O)CC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 8/20 0.63
EGLN1 Q9GZT9 8/20 0.63
L3MBTL1 Q9Y468 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTR6 P50406 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43

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
SCHEMBL1866840 0.91 VEGFA (0.63) VEGFAEGLN1CYP2D6CYP2C9ALOX15
SCHEMBL271566 0.88 VEGFA (0.65) VEGFAEGLN1ALDH1A1KMT2A
SCHEMBL1770508 0.87 VEGFA (0.64) VEGFAEGLN1L3MBTL1CYP2D6CYP2C9
SCHEMBL271286 0.87 EGLN1 (0.67) VEGFAEGLN1HTR6ALDH1A1SMN1; SMN2
SCHEMBL1870466 0.87 VEGFA (0.60) VEGFAEGLN1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL1866671 0.86 VEGFA (0.65) VEGFAEGLN1L3MBTL1HTR6ALDH1A1
SCHEMBL272076 0.86 VEGFA (0.85) VEGFAEGLN1CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL1770106 0.86 VEGFA (0.56) VEGFAEGLN1L3MBTL1CYP2D6CYP2C9
SCHEMBL272197 0.85 VEGFA (0.61) VEGFAEGLN1CYP2D6CYP2C19ALDH1A1
SCHEMBL27866622 0.85 VEGFA (0.55) VEGFAEGLN1HTR6ALDH1A1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496236-A1 PROLYL HYDROXYLASE INHIBITORS Aerpio Therapeutics Inc. (US) 2012-09-12 EP claimed
WO-2011057115-A1 PROLYL HYDROXYLASE INHIBITORS AKEBIA THERAPEUTICS INC. (US) 2011-05-12 WO claimed