SCHEMBL27965699

SCHEMBL27965699

O=COCCc1cc(CCN2CCCC2)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.37
HRH3 Q9Y5N1 10/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
MBTD1 Q05BQ5 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2A P28223 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
SCHEMBL27825848 0.77
SCHEMBL260550 0.75 SLC6A3 (0.44) SLC6A3HRH3L3MBTL1SIGMAR1MBTD1
SCHEMBL261027 0.74 SLC6A3 (0.43) SLC6A3HRH3L3MBTL1SIGMAR1MBTD1
SCHEMBL28812170 0.71 LMNA (0.33)
SCHEMBL27825880 0.71
SCHEMBL27983037 0.68
SCHEMBL27911631 0.68 ERCC1 (0.32)
SCHEMBL64778 0.68 HRH3 (0.39) HRH3L3MBTL1TDP1
Ethoxycarbonyl Group SCHEMBL27965698 0.68 HRH3 (0.42) SLC6A3HRH3L3MBTL1SIGMAR1MBTD1
SCHEMBL1225211 0.67 DAO (0.51) SLC6A3HRH3L3MBTL1SIGMAR1MBTD1

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-101987848-B New dihydroindolone derivatives, method of preparing same and pharmaceutical compositions containing the same SERVIER LAB 2014-06-18 CN disclosed