SCHEMBL4602173

SCHEMBL4602173

CC(C)CNCC1(O)CNC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.31

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
SCHEMBL4632919 0.84
SCHEMBL24818591 0.80 ANPEP (0.33) ANPEP
SCHEMBL24819071 0.77 CYP2D6 (0.33) ANPEP
SCHEMBL24818476 0.77 ANPEP (0.31) ANPEP
SCHEMBL21594121 0.76
SCHEMBL23374697 0.75 CYP2D6 (0.35) ANPEP
SCHEMBL27410010 0.75 ANPEP (0.31) ANPEP
SCHEMBL4600596 0.72 CHRNB2 (0.31)
SCHEMBL15910941 0.70
SCHEMBL22433613 0.69 HSD11B1 (0.43)

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-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed