SCHEMBL2463182

SCHEMBL2463182

CC(=O)NC1Cc2ccccc2C1(N)NC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.42
MTNR1B P49286 5/20 0.42
MCHR2 Q969V1 1/20 0.39
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA9 Q16790 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL5751441 0.79 MTNR1A (0.46) MTNR1AMTNR1BMCHR2SMN1; SMN2NPSR1
SCHEMBL8457160 0.67 HDAC9 (0.43) MTNR1AMTNR1B
SCHEMBL10756313 0.66 MTNR1A (0.43) MTNR1AMTNR1BMCHR2
SCHEMBL30595323 0.66 MTNR1A (0.77) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL1029693 0.66 MTNR1A (0.77) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL7452154 0.65 NOTUM (0.38)
SCHEMBL11295469 0.65 MTNR1A (0.53) MTNR1AMTNR1BCA1CA2SMN1; SMN2
SCHEMBL13626312 0.64 ALDH1A1 (0.41) MTNR1AMTNR1B
Acetic Acid SCHEMBL28943323 0.64 LMNA (0.41)
SCHEMBL5970889 0.63 HDAC9 (0.45) MTNR1AMTNR1B

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 9 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
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
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