SCHEMBL5750065

SCHEMBL5750065

CCOC(=O)N1CC=C(c2cn(C(=O)OCC)c3ncccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.45
JAK1 P23458 13/20 0.45
JAK2 O60674 4/20 0.45
HRH1 P35367 1/20 0.44
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
SLC6A15 Q9H2J7 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MPI P34949 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL5749286 0.92 HTR6 (0.52) JAK1
SCHEMBL4064267 0.85 CES2 (0.43) JAK1JAK2HRH1FAAHMGLL
SCHEMBL4879856 0.84 HTR6 (0.56) JAK1
SCHEMBL4053840 0.80 CHEK1 (0.61) JAK1JAK2MAPT
SCHEMBL23865984 0.78 GRM5 (0.48) JAK1JAK2HRH1SLC6A15KDM4E
SCHEMBL2064777 0.74 HTR6 (0.71) ELANE
SCHEMBL18129748 0.73 MAP4K4 (0.58) JAK1JAK2MAPT
SCHEMBL2064982 0.73 HTR6 (0.57) ELANEKMT2A
SCHEMBL3226626 0.73 MAPT (0.66) KDM4EMAPTL3MBTL1
SCHEMBL4056219 0.73 ELANE (0.53) ELANEFAAHMGLLKDM4EALDH1A1

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