SCHEMBL3943829

SCHEMBL3943829

COc1cccc(CCC2=C(C(=O)OCc3ccc(F)c(C#N)c3)C(c3cccnc3)NC(=O)N2)c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3951299 0.94 RXFP1 (0.46) RXFP1
SCHEMBL3942078 0.92 PKM (0.46) RXFP1PKML3MBTL1
SCHEMBL3942352 0.91 PKM (0.47) RXFP1PKM
SCHEMBL3943534 0.91 RXFP1 (0.40) RXFP1PKM
SCHEMBL3944657 0.90 PKM (0.52) RXFP1PKML3MBTL1
SCHEMBL3951498 0.90 RXFP1 (0.42) RXFP1PKM
SCHEMBL3942701 0.89 PKM (0.44) RXFP1PKML3MBTL1
SCHEMBL3942026 0.89 PKM (0.44) RXFP1PKML3MBTL1
SCHEMBL13942057 0.89 MMP1 (0.41)
SCHEMBL3949157 0.89 RXFP1 (0.53) RXFP1PKM

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
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed