SCHEMBL2463178

SCHEMBL2463178

CC(=O)N(N)c1ccc2c(c1)CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 8/20 0.40
RAB9A P51151 8/20 0.40
POLB P06746 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL9058750 0.77 RXRA (0.45) RXRARXRBRXRGALDH1A1NPC1
SCHEMBL2465113 0.76 RXRA (0.44) RXRARXRBRXRGALDH1A1NPC1
SCHEMBL9059041 0.76 RXRA (0.44) RXRARXRBRXRGALDH1A1NPC1
SCHEMBL11667482 0.74 RXRA (0.58) RXRARXRBRXRGALDH1A1NPC1
SCHEMBL18197457 0.73 RAD52 (0.41) RXRARXRBRXRGALDH1A1NPC1
SCHEMBL7403403 0.73 RXRA (0.42) RXRARXRBRXRGALDH1A1NPC1
SCHEMBL28250212 0.72 RXRA (0.47) RXRARXRBRXRGALDH1A1NPC1
SCHEMBL5427705 0.72 RXRA (0.53) RXRARXRBRXRGALDH1A1NPC1
SCHEMBL1254154 0.71 RXRA (0.47) RXRARXRBRXRGALDH1A1NPC1
SCHEMBL7403475 0.71 RXRA (0.43) RXRARXRBRXRGALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4782252-B2 2011-09-28 JP claimed
EP-0738149-A4 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 1999-10-27 EP claimed
EP-0738149-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-10-23 EP claimed
WO-1995018617-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-07-13 WO claimed
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-1996021640-A1 OPTICALLY ACTIVE AMINOINDANE DERIVATIVES AND PREPARATION THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-07-18 WO disclosed
WO-1995018617-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-07-13 WO disclosed