SCHEMBL3955780

SCHEMBL3955780

O=CN(CCO)C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.44
ADH1C P00326 3/20 0.44
ADH4 P08319 1/20 0.42
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 1/20 0.38
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL4579032 0.86
SCHEMBL2087045 0.84 ADH1A (0.61) ADH1AADH1CADH4
SCHEMBL3954264 0.81 ADH1A (0.69) ADH1AADH1CADH4SLC6A2SLC6A4
SCHEMBL18476366 0.78 ADH1A (0.66) ADH1AADH1CADH4SLC6A2SLC6A4
SCHEMBL3469985 0.77 ADH1A (0.44) ADH1AADH1CADH4SLC6A2SLC6A4
SCHEMBL3687398 0.77 ADH1A (0.74) ADH1AADH1CADH4SLC6A2SLC6A4
SCHEMBL3955640 0.76 ADH1A (0.64) ADH1AADH1CADH4SLC6A2SLC6A4
SCHEMBL5188572 0.73 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL18475300 0.71 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3GABRPGABRD
SCHEMBL3955659 0.71 ADH1A (0.36) ADH1AADH1CADH4SLC6A2SLC6A4

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
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed