SCHEMBL8329029

SCHEMBL8329029

CC(C)(C)[SiH2]OC(C)(C)c1ccc(C#N)c(O)c1.N#Cc1ccc(CO)cc1OCCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.44
FNTB P49356 5/20 0.44
PGGT1B P53609 5/20 0.44
ADRB2 P07550 4/20 0.36
DRD2 P14416 3/20 0.36
DRD1 P21728 3/20 0.36
DRD4 P21917 3/20 0.36
DRD3 P35462 3/20 0.36
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
AR P10275 1/20 0.32
ADRB1 P08588 1/20 0.32

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
SCHEMBL8147908 0.80 FNTA (0.61) FNTAFNTBPGGT1BADRB2DRD2
SCHEMBL8147898 0.77 FNTA (0.61) FNTAFNTBPGGT1B
SCHEMBL8143455 0.77 AR (0.36) AR
SCHEMBL8329025 0.76 FNTA (0.42) FNTAFNTBPGGT1BADRB2DRD2
SCHEMBL8155625 0.74 FNTA (0.60) FNTAFNTBPGGT1B
SCHEMBL6477825 0.68 FNTA (0.58) FNTAFNTBPGGT1B
SCHEMBL501379 0.67 PRKCA (0.37) S1PR1
SCHEMBL16954928 0.63 AR (0.46) FNTAFNTBPGGT1BS1PR1S1PR3
SCHEMBL4783565 0.63 PRKCI (0.43)
SCHEMBL2997723 0.63 SNCA (0.49) AR

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
EP-0951285-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-10-27 EP disclosed
WO-1998029119-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 WO disclosed