SCHEMBL1769448

SCHEMBL1769448

CCC1CC1(C(=O)O)c1ccc(N2CC(CN)OC2=O)cc1F

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 7/20 0.43
MAOB P27338 6/20 0.42
MAOA P21397 4/20 0.42
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
SDHA P31040 1/20 0.42
F10 P00742 2/20 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
SCHEMBL1769446 0.78 MAOB (0.43) CALML3MAOBMAOALMNAPTGS1
SCHEMBL8136280 0.77 CALML3 (0.50) CALML3MAOBMAOALMNAPTGS1
SCHEMBL6099011 0.77 CALML3 (0.50) CALML3MAOBMAOALMNAPTGS1
SCHEMBL592027 0.76 F10 (0.53) CALML3MAOBMAOALMNAPTGS1
SCHEMBL592028 0.76 F10 (0.53) CALML3MAOBMAOALMNAPTGS1
SCHEMBL16701334 0.76 BPTF (0.57) CALML3MAOBMAOALMNAPTGS1
SCHEMBL16701336 0.76 BPTF (0.57) CALML3MAOBMAOALMNAPTGS1
SCHEMBL6608322 0.75 F10 (0.46) CALML3MAOBMAOALMNAPTGS1
SCHEMBL6607578 0.75 F10 (0.46) CALML3MAOBMAOALMNAPTGS1
SCHEMBL6608194 0.75 CALML3 (0.43) CALML3MAOBMAOALMNAPTGS1

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