SCHEMBL7526435

SCHEMBL7526435

CCOC(=O)C(=O)CCc1ccccc1.CCOC(=O)c1[nH]c2ccccc2c1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.58
HTR1A P08908 1/20 0.56
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
HTR1D P28221 1/20 0.56
HTR1B P28222 1/20 0.56
HTR1F P30939 1/20 0.56
HTR7 P34969 1/20 0.56
DRD3 P35462 1/20 0.56
TUBB4A P04350 2/20 0.51
TUBB P07437 2/20 0.51
TUBA3C P0DPH7 2/20 0.51
TUBA1B P68363 2/20 0.51
TUBA4A P68366 2/20 0.51
TUBB4B P68371 2/20 0.51
TUBB3 Q13509 2/20 0.51
TUBB2A Q13885 2/20 0.51
TUBB8 Q3ZCM7 2/20 0.51
TUBA3E Q6PEY2 2/20 0.51
TUBA1A Q71U36 2/20 0.51

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
SCHEMBL7671532 0.89 HTR6 (0.68) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL7381366 0.83 HTR6 (0.74) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL31744875 0.80 HTR6 (0.62) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL6859385 0.79 HTR6 (0.61) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL304796 0.77 L3MBTL1 (0.55) ALDH1A1MAPT
SCHEMBL9094606 0.77 HTR6 (0.73) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL3033159 0.76 HTR6 (0.80) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL3029129 0.76 HTR6 (0.75) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL13485649 0.76 HTR6 (0.67) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL2204353 0.76 HTR6 (0.74) HTR6HTR1ADRD2DRD4HTR1D

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
WO-2002022576-A2 3-SUBSTITUTED INDOLE CARBOHYDRAZIDES USEFUL AS CELL PROLIFERATION AND ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2002-03-21 WO disclosed