SCHEMBL17656757

SCHEMBL17656757

COCc1cccc(-c2cnc(N3CCN(Cc4ccc(C(=O)OCc5ccccc5)cc4)CC3)nc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 7/20 0.48
DRD2 P14416 4/20 0.47
DRD4 P21917 4/20 0.47
DRD3 P35462 4/20 0.47
BCL2L1 Q07817 1/20 0.46
PRMT1 Q99873 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 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
SCHEMBL12526352 0.91 AOC3 (0.47) AOC3DRD2DRD4DRD3BCL2L1
SCHEMBL12526638 0.90 AOC3 (0.49) AOC3DRD2DRD4DRD3BCL2L1
SCHEMBL17703745 0.89 HDAC6 (0.46) AOC3DRD2DRD4DRD3BCL2L1
SCHEMBL16785024 0.86 AOC3 (0.48) AOC3DRD2DRD4DRD3BCL2L1
SCHEMBL16784890 0.84 FLT1 (0.44) AOC3BCL2L1PRMT1HDAC6HDAC1
SCHEMBL17656540 0.84 FLT1 (0.46) AOC3DRD2DRD4DRD3BCL2L1
SCHEMBL17703740 0.83 AOC3 (0.55) AOC3DRD2DRD4DRD3BCL2L1
SCHEMBL16784924 0.82 AOC3 (0.45) AOC3BCL2L1PRMT1HDAC6
SCHEMBL17656756 0.78 AOC3 (0.55) AOC3DRD2DRD4DRD3BCL2L1
SCHEMBL16785169 0.78 AOC3 (0.50) AOC3DRD2DRD4DRD3BCL2L1

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-3002278-A1 GUANIDINE COMPOUND Astellas Pharma Inc. (JP) 2016-04-06 EP disclosed