SCHEMBL27890795

SCHEMBL27890795

CCN(CC)C(C)CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.61
KDM4E B2RXH2 1/20 0.50
SIGMAR1 Q99720 4/20 0.46
ADRA2A P08913 2/20 0.46
KCNH2 Q12809 2/20 0.46
AOC3 Q16853 2/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MC4R P32245 1/20 0.42

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
SCHEMBL11132326 0.89 KCNH2 (0.52) BCHESIGMAR1ADRA2AKCNH2AOC3
SCHEMBL12018205 0.81 BCHE (0.52) BCHEKDM4ESIGMAR1ADRA2AKCNH2
SCHEMBL3046018 0.79 SLC6A2 (0.57) KDM4ESIGMAR1ADRA2AKCNH2SLC6A2
SCHEMBL555308 0.79 KDM4E (0.57) BCHEKDM4ESIGMAR1KCNH2AOC3
SCHEMBL12018204 0.79 BCHE (0.50) BCHEKDM4ESIGMAR1ADRA2AKCNH2
Hydrochloric Acid SCHEMBL16702960 0.78 SLC6A2 (0.55) KDM4ESIGMAR1ADRA2AKCNH2SLC6A2
SCHEMBL21431254 0.77 BCHE (0.58) BCHEKDM4ESIGMAR1ADRA2AKCNH2
SCHEMBL12124992 0.77 BCHE (0.58) BCHEKDM4ESIGMAR1ADRA2AKCNH2
SCHEMBL12540146 0.77 BCHE (0.44) BCHESIGMAR1ADRA2AKCNH2AOC3
SCHEMBL12126093 0.77 BCHE (0.58) BCHEKDM4ESIGMAR1ADRA2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101432617-B Coating for humidity indicator, preparation method thereof and humidity indicator formed by using coating KYODO PRINTING CO LTD 2013-02-20 CN disclosed