SCHEMBL3956314

SCHEMBL3956314

O=CNCCCC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 1/20 0.42
▸ GNAO1 P09471 1/20 0.42
▸ GNAI1 P63096 1/20 0.42
▸ NAMPT P43490 2/20 0.40
▸ ADH1B P00325 3/20 0.39
▸ ADH1C P00326 3/20 0.39
▸ ADH1A P07327 3/20 0.39
▸ ADH7 P40394 3/20 0.39
▸ ADH4 P08319 2/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ ITGB3 P05106 5/20 0.36
▸ ITGA2B P08514 5/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ PRMT3 O60678 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 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
SCHEMBL402125 0.89 SLC6A1 (0.43) GNAI3GNAO1GNAI1NAMPTADH1B
SCHEMBL4136214 0.88 GNAI3 (0.41) GNAI3GNAO1GNAI1NAMPTADH1B
SCHEMBL5651899 0.86 — —
SCHEMBL3024930 0.82 ADH1B (0.54) ADH1BADH1CADH1AADH7ADH4
SCHEMBL304406 0.80 ADH1B (0.57) ADH1BADH1CADH1AADH7ADH4
SCHEMBL3948570 0.78 ITGB3 (0.39) GNAI3GNAO1GNAI1NAMPTITGB3
SCHEMBL22104300 0.78 ADH1B (0.54) ADH1BADH1CADH1AADH7ADH4
SCHEMBL303075 0.76 ADH1B (0.57) ADH1BADH1CADH1AADH7ADH4
SCHEMBL3030276 0.75 ADH1B (0.61) GNAI3GNAO1GNAI1ADH1BADH1C
SCHEMBL5963079 0.75 GNAO1 (0.52) GNAI3GNAO1GNAI1NAMPTITGB3

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
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