SCHEMBL5145589

SCHEMBL5145589

CCOC(=O)c1[nH]c2ccccc2c1CN(C1=NNN(C)N1)c1ccccc1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.41
DRD2 P14416 2/20 0.41
HTR1A P08908 1/20 0.41
DRD4 P21917 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR1F P30939 1/20 0.41
HTR7 P34969 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37
TUBB3 Q13509 2/20 0.37
TUBB2A Q13885 2/20 0.37

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
SCHEMBL5623948 0.86 HTR6 (0.44) HTR6DRD2HTR1ADRD4HTR1D
SCHEMBL5132374 0.73 CETP (0.45) HTR6DRD2HTR1ADRD4HTR1D
SCHEMBL5133829 0.73 HTR6 (0.50) HTR6DRD2HTR1ADRD4HTR1D
SCHEMBL5133703 0.71 HTR6 (0.54) HTR6DRD2HTR1ADRD4HTR1D
SCHEMBL2810771 0.71 HTR6 (0.56) HTR6DRD2HTR1ADRD4HTR1D
SCHEMBL5133725 0.70 HTR6 (0.46) HTR6DRD2HTR1ADRD4HTR1D
SCHEMBL14472908 0.70 HTR6 (0.46) HTR6DRD2HTR1ADRD4HTR1D
SCHEMBL5261644 0.68 HTR6 (0.64) HTR6DRD2HTR1ADRD4HTR1D
SCHEMBL7671532 0.64 HTR6 (0.68) HTR6DRD2HTR1ADRD4HTR1D
SCHEMBL3276994 0.64 HTR6 (0.65) HTR6DRD2HTR1ADRD4HTR1D

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-1981342-A1 SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS Reddy US Therapeutics, Inc. (US) 2008-10-22 EP disclosed
WO-2007075194-A1 SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS REDDY US THERAPEUTICS, INC. (US) 2007-07-05 WO disclosed