SCHEMBL12837673

SCHEMBL12837673

C=C(N[C@H](C(=O)NO)[C@@H](C)O)[C@@H]1C[C@@H](c2ccccc2)CN1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 11/20 0.45
HDAC2 Q92769 2/20 0.44
F2 P00734 3/20 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
SCHEMBL10287266 0.88 F2 (0.52) MASP2F2
SCHEMBL405483 0.88 F2 (0.52) MASP2F2
SCHEMBL23478607 0.72 F2 (0.60) MASP2F2
SCHEMBL30310533 0.72 F2 (0.60) MASP2F2
SCHEMBL439924 0.71 HDAC4 (0.60)
SCHEMBL29880310 0.70 F2 (0.63) MASP2F2
SCHEMBL25054053 0.70 F2 (0.53) MASP2HDAC2F2
SCHEMBL8289296 0.70 HDAC2 (0.61) MASP2HDAC2F2
SCHEMBL12055825 0.70 KCNH2 (0.43) MASP2
SCHEMBL4876908 0.70 KCNH2 (0.43) MASP2

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-2295402-A2 Antibacterial agents The University of Washington (US) 2011-03-16 EP disclosed