SCHEMBL14714591

SCHEMBL14714591

COc1ccc(-n2nc([C]3CCC(=O)CC3)cc2-c2ccc(C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCKAR P32238 8/20 0.49
▸ PTGS2 P35354 4/20 0.49
▸ PTGS1 P23219 2/20 0.49

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
SCHEMBL2150193 0.87 PTGS2 (0.49) CCKARPTGS2PTGS1
SCHEMBL14714376 0.84 CCKAR (0.48) CCKARPTGS2PTGS1
SCHEMBL14714593 0.82 CCKAR (0.48) CCKARPTGS2PTGS1
SCHEMBL5214995 0.78 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL2150062 0.78 CCKAR (0.48) CCKARPTGS2PTGS1
SCHEMBL12177047 0.78 CCKAR (0.48) CCKARPTGS2PTGS1
SCHEMBL12286620 0.77 PTGS2 (0.59) CCKARPTGS2PTGS1
SCHEMBL15070227 0.74 PTGS2 (0.51) CCKARPTGS2PTGS1
SCHEMBL9349368 0.74 CCKAR (0.54) CCKARPTGS2PTGS1
SCHEMBL18292062 0.74 CCKAR (0.47) CCKARPTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2562160-B1 THERAPEUTIC AGENT OR PREVENTIVE AGENT FOR URINE COLLECTION DISORDER TORAY INDUSTRIES (JP) 2014-09-10 — — EP disclosed
EP-2562160-A1 THERAPEUTIC AGENT OR PREVENTIVE AGENT FOR URINE COLLECTION DISORDER Toray Industries, Inc. (JP) 2013-02-27 — — EP disclosed
Send feedback