SCHEMBL9695895

SCHEMBL9695895

O=CCCCCCCOc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.49
DRD4 P21917 4/20 0.49
DRD2 P14416 3/20 0.49
DRD3 P35462 3/20 0.49
ALDH3A1 P30838 1/20 0.47
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL5539534 1.00 HRH3 (0.49) HRH3DRD4DRD2DRD3ALDH3A1
SCHEMBL9697553 1.00 HRH3 (0.49) HRH3DRD4DRD2DRD3ALDH3A1
SCHEMBL9697050 1.00 HRH3 (0.49) HRH3DRD4DRD2DRD3ALDH3A1
SCHEMBL5534932 0.98 DRD4 (0.50) HRH3DRD4DRD2DRD3ALDH3A1
SCHEMBL5540021 0.92 DRD4 (0.51) HRH3DRD4DRD2DRD3ALDH3A1
SCHEMBL5536818 0.86 DRD4 (0.49) DRD4DRD2DRD3ALDH3A1KCNH2
SCHEMBL30514014 0.84 HRH3 (0.61) HRH3DRD4DRD2DRD3ALDH3A1
SCHEMBL11815991 0.84 HRH3 (0.61) HRH3DRD4DRD2DRD3ALDH3A1
SCHEMBL9770302 0.82 ALDH3A1 (0.62) HRH3DRD4DRD2DRD3ALDH3A1
SCHEMBL9441058 0.81 HRH3 (0.49) HRH3DRD4DRD2DRD3ALDH3A1

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-1992001447-A1 2-CYCLOPROPYLACETIC ACID DERIVATIVES SANDOZ LTD. (CH) 1992-02-06 WO disclosed