SCHEMBL14714593

SCHEMBL14714593

COc1ccc(-n2nc(C3CCC(=O)CC3)cc2-c2ccc(C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCKAR P32238 8/20 0.48
▸ PTGS2 P35354 2/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ NPBWR1 P48145 1/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ RPA1 P27694 1/20 0.44

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
SCHEMBL27914757 0.87 PTGS2 (0.49) CCKARPTGS2PTGS1
SCHEMBL13352411 0.85 CCKAR (0.48) CCKARPTGS2PTGS1RPA1
SCHEMBL3096791 0.85 MEN1 (0.48) CCKARPTGS2PTGS1
SCHEMBL14714591 0.82 CCKAR (0.49) CCKARPTGS2PTGS1
SCHEMBL13993264 0.81 PTGS2 (0.46) CCKARPTGS2PTGS1
SCHEMBL3104741 0.81 CCKAR (0.47) CCKARPTGS2
SCHEMBL13157961 0.80 CCKAR (0.47) CCKAR
SCHEMBL13157985 0.80 CCKAR (0.47) CCKAR
SCHEMBL14504449 0.80 MGLL (0.52) PTGS2PTGS1RPA1
SCHEMBL3100346 0.80 MEN1 (0.52) PTGS2PTGS1RPA1

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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