SCHEMBL2464897

SCHEMBL2464897

CC(=O)NC1(C)CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.44
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
PIN1 Q13526 3/20 0.39
RBP4 P02753 1/20 0.39
KDM1A O60341 2/20 0.38
HSD11B1 P28845 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MAOB P27338 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL21376364 0.90 KDM1A (0.46) HDAC9KDM1ASIGMAR1
SCHEMBL18088762 0.84 PIN1 (0.42) HDAC9ALDH1A1TP53HCAR2PIN1
SCHEMBL13626312 0.83 ALDH1A1 (0.41) HDAC9ALDH1A1MTNR1AMTNR1B
SCHEMBL18088738 0.83 MTNR1A (0.41) HDAC9KDM1AMTNR1AMTNR1B
SCHEMBL5970889 0.81 HDAC9 (0.45) HDAC9HCAR2KDM1ASIGMAR1MAOB
SCHEMBL18088743 0.80 MTNR1A (0.44) HDAC9ALDH1A1KDM1ASIGMAR1MTNR1A
SCHEMBL23223760 0.79 GHSR (0.45) HDAC9HCAR2PIN1KDM1A
SCHEMBL18088763 0.79 HDAC9 (0.39) HDAC9HCAR2PIN1HSD11B1
SCHEMBL18088760 0.79 GHSR (0.45) HDAC9HCAR2PIN1KDM1A
SCHEMBL18088742 0.79 HDAC9 (0.42) HDAC9KDM1A

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 7 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
WO-2016148145-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUND 大正製薬株式会社 2016-09-22 WO disclosed
US-5880159-A TREATING ACUTE NEUROLOGICAL TRAUMATIC DISORDER OR NEUROTRAUMA TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-09 US disclosed
US-5639913-A TREATMENT OF PARKINSON'S DISEASE, DEMENTIA, EPILEPSY TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-06-17 US disclosed