SCHEMBL1866840

SCHEMBL1866840

CCN1CCN(Cc2ccn(Cc3cccc(F)c3)c(=O)c2O)CC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 9/20 0.63
EGLN1 Q9GZT9 9/20 0.63
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 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
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
HTR6 P50406 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL1868340 0.91 VEGFA (0.63) VEGFAEGLN1PDE1APDE1BPDE1C
SCHEMBL1770508 0.87 VEGFA (0.64) VEGFAEGLN1CYP2D6CYP2C9ALOX15
SCHEMBL1770510 0.87 VEGFA (0.55) VEGFAEGLN1CYP2D6CYP2C9ALOX15
SCHEMBL1868684 0.87 EGLN1 (0.67) VEGFAEGLN1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL1870466 0.87 VEGFA (0.60) VEGFAEGLN1PDE1CALDH1A1SMN1; SMN2
SCHEMBL1865558 0.86 VEGFA (0.65) VEGFAEGLN1ALDH1A1KMT2ATHRB
SCHEMBL272116 0.86 VEGFA (0.85) VEGFAEGLN1CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL1770106 0.86 VEGFA (0.56) VEGFAEGLN1CYP2D6CYP2C9ALOX15
SCHEMBL12666955 0.84 VEGFA (0.57) VEGFAEGLN1CYP2D6CYP2C9ALOX15
SCHEMBL28797099 0.84 VEGFA (0.57) VEGFAEGLN1ALDH1A1SMN1; SMN2KMT2A

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