SCHEMBL3950352

SCHEMBL3950352

CCN1CCC(CCC=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
HSD11B1 P28845 3/20 0.40
EPHX1 P07099 2/20 0.40
EPHX2 P34913 1/20 0.35
HTR4 Q13639 1/20 0.34
GNAO1 P09471 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CHRM4 P08173 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL3947872 0.89 SMN1; SMN2 (0.39) SMN1; SMN2HRH3HSD11B1EPHX1EPHX2
SCHEMBL3956166 0.85 GNAO1 (0.41) SMN1; SMN2HRH3EPHX1EPHX2HTR4
SCHEMBL31273888 0.80 HRH3 (0.49) SMN1; SMN2HRH3HSD11B1EPHX1EPHX2
SCHEMBL3947858 0.79 EPHX1 (0.40) SMN1; SMN2HRH3HSD11B1EPHX1EPHX2
SCHEMBL3948879 0.79 NCF1 (0.46) HRH3HTR4GNAO1ALDH1A1
SCHEMBL3956282 0.77 SLC18A3 (0.39) SMN1; SMN2HRH3HSD11B1ALDH1A1CHRM4
SCHEMBL4383559 0.77 SMN1; SMN2 (0.45) SMN1; SMN2HRH3HSD11B1EPHX1EPHX2
SCHEMBL3955899 0.77 SMN1; SMN2 (0.45) SMN1; SMN2HRH3HSD11B1EPHX1EPHX2
SCHEMBL4045148 0.77 ADH1B (0.42) SMN1; SMN2HRH3HSD11B1EPHX1EPHX2
SCHEMBL31273045 0.76 HRH3 (0.46) SMN1; SMN2HRH3HSD11B1EPHX1EPHX2

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