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SCHEMBL5135052

SCHEMBL5135052

CCC(O)(CC(=O)N1CCN(c2ccc(C(=O)O)nn2)CC1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 10/20 0.45
▸ PANK3 Q9H999 5/20 0.43
▸ DCTPP1 Q9H773 2/20 0.41
▸ ME2 P23368 1/20 0.40
▸ ME1 P48163 1/20 0.40
▸ ME3 Q16798 1/20 0.40

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
SCHEMBL938660 0.87 SCD (0.48) SCDPANK3DCTPP1ME2ME1
SCHEMBL937098 0.87 PANK3 (0.45) SCDPANK3DCTPP1ME2ME1
SCHEMBL27654397 0.86 PANK3 (0.50) SCDPANK3DCTPP1ME2ME1
SCHEMBL27654401 0.80 MAPT (0.46) SCDPANK3ME2ME1ME3
SCHEMBL937848 0.79 SCD (0.55) SCDDCTPP1
SCHEMBL936149 0.79 PANK3 (0.51) SCDPANK3DCTPP1
SCHEMBL938277 0.78 PANK3 (0.49) SCDPANK3DCTPP1
SCHEMBL937866 0.77 SCD (0.65) SCDDCTPP1
SCHEMBL937485 0.77 SCD (0.48) SCDDCTPP1
SCHEMBL938559 0.75 SCD (0.43) SCDDCTPP1

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-1907004-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER Novartis AG (CH) 2008-04-09 — — EP claimed
WO-2007005763-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER NOVARTIS AG (CH) 2007-01-11 — — WO claimed