SCHEMBL22227397

SCHEMBL22227397

CN(C)C1CCc2c(CC(=O)O)c3cccnc3n2C1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.73
PTGDR Q13258 2/20 0.55

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
SCHEMBL22225424 0.92 PTGDR2 (0.68) PTGDR2PTGDR
SCHEMBL15280012 0.86 PTGDR2 (0.87) PTGDR2
SCHEMBL15509573 0.86 PTGDR2 (0.75) PTGDR2
SCHEMBL2213260 0.86 PTGDR2 (0.75) PTGDR2
SCHEMBL15519218 0.86 PTGDR2 (0.87) PTGDR2
SCHEMBL15280003 0.85 PTGDR2 (1.00) PTGDR2PTGDR
SCHEMBL22225428 0.85 PTGDR2 (0.73) PTGDR2PTGDR
Acetic Acid SCHEMBL15280588 0.85 PTGDR2 (0.84) PTGDR2
SCHEMBL3048470 0.85 PTGDR2 (1.00) PTGDR2PTGDR
SCHEMBL22225179 0.83 PTGDR2 (0.58) PTGDR2

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-3909952-A1 SALTS OF HETEROCYCLIC COMPOUND AND USE THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2021-11-17 EP disclosed
WO-2020233713-A1 APPLICATION OF HETEROCYCLIC COMPOUND AND SALT THEREOF 石药集团中奇制药技术(石家庄)有限公司 (CN) 2020-11-26 WO disclosed
WO-2020143793-A1 SALTS OF HETEROCYCLIC COMPOUND AND USE THEREOF 石药集团中奇制药技术(石家庄)有限公司 2020-07-16 WO disclosed