SCHEMBL2463176

SCHEMBL2463176

CC(=O)Nc1ccc2c(c1)C(N)CC2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.60
ACHE P22303 5/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
CYP1A2 P05177 1/20 0.46
ADRA2A P08913 1/20 0.46
MAOA P21397 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR2B P41595 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NAMPT P43490 1/20 0.45
BAZ2B Q9UIF8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL11746560 0.91 MTNR1A (0.54) MTNR1AACHECHRNB2CHRNA4CYP1A2
Hydrochloric Acid SCHEMBL11748537 0.90 MTNR1A (0.53) MTNR1AACHECHRNB2CHRNA4CYP1A2
SCHEMBL7874968 0.85 MTNR1A (0.44) MTNR1AACHE
SCHEMBL7865790 0.82 MTNR1A (0.42) MTNR1AACHE
SCHEMBL25413828 0.81 ACHE (0.43) MTNR1AACHE
SCHEMBL2461761 0.81 MTNR1A (0.59) MTNR1ACHRNB2CHRNA4CYP1A2ADRA2A
Dimethylamine SCHEMBL8433853 0.81 MTNR1A (0.59) MTNR1ACHRNB2CHRNA4CYP1A2ADRA2A
SCHEMBL3534317 0.79 BAZ2B (0.52) MTNR1AACHECHRNB2CHRNA4CYP1A2
SCHEMBL6333696 0.79 KCNH2 (0.55) MTNR1A
SCHEMBL7865789 0.78 ACHE (0.46) MTNR1AACHERAB9A

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