SCHEMBL5987912

SCHEMBL5987912

CCCN(C(=O)CC1(CCC)CC(C)OC(C)C1)C1CC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL7601842 0.90 PTGS1 (0.32) PTGS1PTGS2
SCHEMBL7606420 0.72 PIK3CD (0.34) PTGS1PTGS2
SCHEMBL5986622 0.71 PTGS1 (0.32) PTGS1PTGS2
SCHEMBL5986638 0.69 PTGS1 (0.36) PTGS1PTGS2
SCHEMBL18576497 0.69 OPRM1 (0.43) PTGS1PTGS2
SCHEMBL5986926 0.68 CYP2C19 (0.34) PTGS1PTGS2
SCHEMBL5986703 0.68 PTGS1 (0.34) PTGS1PTGS2
SCHEMBL28185605 0.67 SLC6A4 (0.35) PTGS1PTGS2
SCHEMBL7785489 0.65 PTGS1 (0.30) PTGS1PTGS2
SCHEMBL5987550 0.65 PIK3CD (0.38) PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP disclosed