SCHEMBL14714376

SCHEMBL14714376

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

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCKAR P32238 7/20 0.48
▸ PTGS2 P35354 5/20 0.47
▸ PTGS1 P23219 2/20 0.46

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 0.85 PTGS2 (0.49) CCKARPTGS2PTGS1
SCHEMBL14714591 0.84 CCKAR (0.49) CCKARPTGS2PTGS1
SCHEMBL13352411 0.83 CCKAR (0.48) CCKARPTGS2PTGS1
SCHEMBL11988277 0.78 CCKAR (0.46) CCKARPTGS2PTGS1
SCHEMBL11988293 0.78 CCKAR (0.46) CCKARPTGS2PTGS1
SCHEMBL2150807 0.78 CCKAR (0.46) CCKARPTGS2PTGS1
SCHEMBL2150519 0.78 CCKAR (0.46) CCKARPTGS2PTGS1
SCHEMBL2150619 0.78 CCKAR (0.46) CCKARPTGS2PTGS1
SCHEMBL11988282 0.78 PTGS2 (0.46) CCKARPTGS2PTGS1
SCHEMBL2149921 0.78 PTGS2 (0.46) 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
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