SCHEMBL7269176

SCHEMBL7269176

NC1CC2(CCC1(N)C(=O)OCc1ccccc1)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36

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
SCHEMBL5902814 0.81 DDB1 (0.44) DDB1CRBNALDH1A1
SCHEMBL29845330 0.77 ALDH1A1 (0.45) DDB1CRBNALDH1A1CYP2C9CYP2C19
SCHEMBL3887001 0.77 ALDH1A1 (0.45) DDB1CRBNALDH1A1CYP2C9CYP2C19
SCHEMBL743375 0.77 DDB1 (0.42) DDB1CRBNALDH1A1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL6543327 0.76 ALDH1A1 (0.44) DDB1CRBNALDH1A1CYP2C9CYP2C19
SCHEMBL19176803 0.76 ALDH1A1 (0.50) DDB1CRBNALDH1A1CYP2C9CYP2C19
SCHEMBL10476664 0.74 CYP3A4 (0.49) DDB1CRBNALDH1A1CYP2C9CYP2C19
SCHEMBL32674110 0.74 ALDH1A1 (0.50) DDB1CRBNALDH1A1CYP2C19KMT2A
SCHEMBL17162725 0.74 DDB1 (0.44) DDB1CRBNALDH1A1CYP2C9CYP2C19
SCHEMBL17162699 0.73 DDB1 (0.43) DDB1CRBNALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP disclosed