SCHEMBL3454809

SCHEMBL3454809

CCc1ccc(CCN)cc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.73
TAAR1 Q96RJ0 5/20 0.62
MAPK1 P28482 3/20 0.62
KDM4E B2RXH2 3/20 0.62
ADRA2A P08913 3/20 0.62
SLC6A2 P23975 3/20 0.62
MAPT P10636 2/20 0.62
DRD2 P14416 2/20 0.62
DRD1 P21728 2/20 0.62
DRD4 P21917 2/20 0.62
DRD5 P21918 2/20 0.62
DRD3 P35462 2/20 0.62
RECQL P46063 2/20 0.62
SLC6A3 Q01959 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
APEX1 P27695 2/20 0.62
ALDH1A1 P00352 2/20 0.62
HTR1A P08908 2/20 0.62
TP53 P04637 1/20 0.62
ADRB2 P07550 1/20 0.62

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
SCHEMBL21002056 0.88 BACE1 (0.55) BACE1ALOX15
SCHEMBL6561766 0.87 BACE1 (0.61) BACE1TAAR1MAPK1KDM4EADRA2A
SCHEMBL21067399 0.85 BACE1 (1.00) BACE1TAAR1MAPK1KDM4EADRA2A
SCHEMBL5168102 0.84 CNR1 (0.59) BACE1KDM4EDRD2DRD1DRD4
SCHEMBL24648925 0.82 BACE1 (0.59) BACE1TAAR1MAPK1KDM4EADRA2A
SCHEMBL14756852 0.82 TAAR1 (0.64) BACE1TAAR1MAPK1KDM4EADRA2A
SCHEMBL3847706 0.82 BACE1 (0.69) BACE1TAAR1MAPK1KDM4EADRA2A
SCHEMBL593741 0.81 TRPA1 (0.67) BACE1MAPK1KDM4EMAPTALDH1A1
Dopamine SCHEMBL11806773 0.81 TAAR1 (0.81) BACE1TAAR1MAPK1KDM4EADRA2A
SCHEMBL5166205 0.81 HTT (0.60) BACE1MAPK1MAPTTDP1ALDH1A1

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
US-9399697-B2 Hardeners for epoxy resins, which comprise aromatic amino groups SIKA TECHNOLOGY AG (CH) 2016-07-26 US disclosed
US-9394399-B2 Hardeners for epoxy resins, which comprise pyridinyl groups SIKA TECHNOLOGY AG (CH) 2016-07-19 US disclosed
US-20150259465-A1 TWO-COMPONENT POLYURETHANE COMPOSITION SIKA TECHNOLOGY AG (CH) 2015-09-17 US disclosed
US-20140316080-A1 HARDENERS FOR EPOXY RESINS, WHICH COMPRISE PYRIDINYL GROUPS SIKA TECHNOLOGY AG (CH) 2014-10-23 US disclosed
US-20140275446-A1 HARDENERS FOR EPOXY RESINS, WHICH COMPRISE AROMATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2014-09-18 US disclosed
US-20100323202-A1 USE OF CARBOXYLIC ACID HYDRAZIDE FOR DE-BONDING POLYURETHANE ADHESIVES SIKA TECHNOLOGY AG (CH) 2010-12-23 US disclosed
WO-2010146144-A2 USE OF CARBOLIC ACID HYDRIDE FOR DEBONDING POLYURETHANE ADHESIVES SIKA TECHNOLOGY AG (CH) 2010-12-23 WO disclosed