SCHEMBL1769446

SCHEMBL1769446

CCOC(=O)C1(c2ccc(N3CC(CN)OC3=O)cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.43
CALML3 P27482 6/20 0.42
MAOA P21397 5/20 0.42
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
SDHA P31040 1/20 0.42
F10 P00742 3/20 0.41

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
SCHEMBL1769216 0.91 CALML3 (0.52) MAOBCALML3MAOALMNAPTGS1
SCHEMBL6608194 0.88 CALML3 (0.43) MAOBCALML3MAOALMNAPTGS1
SCHEMBL1769325 0.85 CALML3 (0.40) MAOBCALML3MAOALMNAPTGS1
SCHEMBL1769462 0.85 F10 (0.48) F10
SCHEMBL1769322 0.81 F10 (0.67) F10
SCHEMBL592027 0.80 F10 (0.53) MAOBCALML3MAOALMNAPTGS1
SCHEMBL592028 0.80 F10 (0.53) MAOBCALML3MAOALMNAPTGS1
SCHEMBL6679438 0.79 CALML3 (0.51) MAOBCALML3MAOALMNAPTGS1
SCHEMBL6679441 0.79 CALML3 (0.51) MAOBCALML3MAOALMNAPTGS1
SCHEMBL1769448 0.78 CALML3 (0.43) MAOBCALML3MAOALMNAPTGS1

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
WO-2011061760-A1 NOVEL ANTITHROMBOTIC AGENTS CADILA HEALTHCARE LIMITED (IN) 2011-05-26 WO disclosed