SCHEMBL28107993

SCHEMBL28107993

CC(c1ccc2cccc3c2c1C(=O)NC3=O)C1CNCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.40
SSTR4 P31391 1/20 0.36
SLC6A2 P23975 11/20 0.33
SLC6A4 P31645 10/20 0.33
SLC6A3 Q01959 7/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MLNR O43193 1/20 0.33
ADRB2 P07550 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2C P28335 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL8556232 0.87 SSTR4 (0.37) SSTR4SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL28107995 0.84 MEN1 (0.40) PARP1SSTR4SLC6A2SLC6A4SLC6A3
SCHEMBL8555645 0.77 SLC6A2 (0.33) SSTR4SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL28871296 0.72 PARP1 (0.54) PARP1KDM4EALDH1A1MEN1CYP3A4
SCHEMBL28821838 0.72 PARP1 (0.41) PARP1KDM4EALDH1A1MEN1CYP2D6
SCHEMBL28285019 0.71 KDM4E (0.46) SSTR4SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL28107782 0.70 CYP1B1 (0.45) SSTR4SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL28227519 0.70 SSTR4 (0.46) SSTR4SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL28825591 0.69 SSTR4 (0.45) SSTR4SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL8559709 0.69 SLC6A2 (0.36) SSTR4SLC6A2SLC6A4SLC6A3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106008342-B A kind of fluorescence probe and preparation method thereof detecting formaldehyde in cytase body 济南大学 2018-08-21 CN claimed
CN-106008342-A Fluorescent probe for detecting formaldehyde in cytolysosome and preparation method thereof 济南大学 2016-10-12 CN claimed
CN-106008342-B A kind of fluorescence probe and preparation method thereof detecting formaldehyde in cytase body 济南大学 2018-08-21 CN disclosed
CN-106008342-A Fluorescent probe for detecting formaldehyde in cytolysosome and preparation method thereof 济南大学 2016-10-12 CN disclosed