SCHEMBL7447276

SCHEMBL7447276

CC(=O)NC1CCc2ccc(C(=O)NO)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
HDAC8 Q9BY41 7/20 0.43
HDAC6 Q9UBN7 7/20 0.43
WDR5 P61964 2/20 0.43
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
JAK3 P52333 2/20 0.41
HDAC1 Q13547 1/20 0.41
LMNA P02545 1/20 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
SCHEMBL13131222 0.86 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL10277937 0.86 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL14996320 0.83 KMT2A (0.52) CA12CA1CA2CA7CA9
SCHEMBL7001617 0.81 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL28420468 0.80 PAX8 (0.58) CA12CA1CA2CA7CA9
SCHEMBL4710669 0.80 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL2461644 0.79 DRD3 (0.50) CA12CA1CA2CA7CA9
SCHEMBL611903 0.79 MAOA (0.64)
SCHEMBL610437 0.79 MAOA (0.64)
SCHEMBL610436 0.79 MAOA (0.64)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0738149-A4 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 1999-10-27 EP disclosed
EP-0738149-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-10-23 EP disclosed
WO-1995018617-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-07-13 WO disclosed