SCHEMBL6629267

SCHEMBL6629267

COc1ccc(N2C(=O)NCC2c2cccc(F)c2)cc1OCCN1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 19/20 0.64
HTR2B P41595 10/20 0.64
HTR2A P28223 6/20 0.52
KCNH2 Q12809 1/20 0.43
MCHR1 Q99705 1/20 0.43

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
SCHEMBL6671592 0.85 HTR2C (0.65) HTR2CHTR2BHTR2A
SCHEMBL6673289 0.85 HTR2C (0.59) HTR2CHTR2BHTR2AMCHR1
SCHEMBL6632359 0.84 HTR2C (0.67) HTR2CHTR2BHTR2AKCNH2MCHR1
SCHEMBL6413793 0.78 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL6629424 0.77 HTR7 (0.43) HTR2CHTR2B
SCHEMBL6628069 0.74 PDE4A (0.47) HTR2CHTR2BHTR2A
SCHEMBL6629684 0.73 PDE4A (0.55) HTR2CHTR2BHTR2A
SCHEMBL4025894 0.73 HTR2C (0.73) HTR2CHTR2BHTR2A
SCHEMBL4025779 0.72 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL6408486 0.69 HTR2C (1.00) HTR2CHTR2BHTR2A

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-1265900-A4 1,5-DISUBSTITUTED-3,4-DIHYDRO-1H-PYRIMIDO 4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CSBP/P38 KINASE MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 2004-11-10 EP claimed
EP-1265900-A1 1,5-DISUBSTITUTED-3,4-DIHYDRO-1H-PYRIMIDO 4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CSBP/P38 KINASE MEDIATED DISEASES SmithKline Beecham Corporation (US) 2002-12-18 EP claimed
WO-2001064679-A1 1,5-DISUBSTITUTED-3,4-DIHYDRO-1H-PYRIMIDO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CSBP/P38 KINASE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2001-09-07 WO claimed