SCHEMBL6533171

SCHEMBL6533171

CC(CC(=O)O)c1nc(-c2ccc(CN(C)C)n2C)no1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.33
FFAR1 O14842 3/20 0.32
S1PR1 P21453 1/20 0.32
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
TSHR P16473 3/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6326515 0.77 TSHR (0.48) FFAR1TSHRLMNASMN1; SMN2
SCHEMBL6472559 0.66 ACACB (0.60) FFAR1S1PR1LMNA
SCHEMBL6334787 0.62 ZAP70 (0.32) HCAR2FFAR1
SCHEMBL563100 0.60 PPARD (0.54) HCAR2FFAR1DPP4DPP7TSHR
SCHEMBL6532275 0.60 USP7 (0.44)
SCHEMBL27745689 0.60 FFAR1 (0.59) FFAR1S1PR1DPP4DPP7TSHR
SCHEMBL6532894 0.58 KDM4E (0.37) DPP4DPP7
SCHEMBL1677568 0.57 FFAR1 (0.54) FFAR1TSHR
SCHEMBL1827571 0.56 CTSA (0.45)
SCHEMBL32680319 0.55 DPP4 (0.37) FFAR1DPP4DPP7

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-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 WO disclosed