SCHEMBL5749286

SCHEMBL5749286

CCOC(=O)n1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c2cccnc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.52
GRM1 Q13255 9/20 0.51
GRM5 P41594 9/20 0.51
PDK4 Q16654 1/20 0.49
JAK1 P23458 1/20 0.45
PDE10A Q9Y233 1/20 0.45
SCN9A Q15858 1/20 0.44
DGAT2 Q96PD7 1/20 0.44
EED O75530 2/20 0.44
RBBP4 Q09028 2/20 0.44
SUZ12 Q15022 2/20 0.44
EZH2 Q15910 2/20 0.44

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
SCHEMBL4879856 0.93 HTR6 (0.56) HTR6GRM1GRM5PDK4JAK1
SCHEMBL5750065 0.92 ELANE (0.45) JAK1
SCHEMBL31025087 0.82 PDK4 (0.54) HTR6GRM1GRM5PDK4JAK1
SCHEMBL25571069 0.82 PDK4 (0.54) HTR6GRM1GRM5PDK4JAK1
SCHEMBL12874666 0.81 GRM1 (0.49) HTR6GRM1GRM5PDK4PDE10A
SCHEMBL17655532 0.80 PDK4 (0.61) HTR6GRM1GRM5PDK4PDE10A
SCHEMBL19092559 0.79 PDK4 (0.58) HTR6GRM1GRM5PDK4PDE10A
SCHEMBL38663138 0.79 PDK4 (0.55) HTR6GRM1GRM5PDK4JAK1
SCHEMBL4064267 0.79 CES2 (0.43) JAK1
SCHEMBL23716616 0.79 GRM5 (0.53) HTR6GRM1GRM5PDK4JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497292-B1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2006-06-14 EP disclosed
EP-1497292-A1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2005-01-19 EP disclosed
WO-2003082867-A1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA S.A. (ES) 2003-10-09 WO disclosed