SCHEMBL9568161

SCHEMBL9568161

CCOC(=O)OC(C)OC(=O)CC1CCN(Cc2ccc(-c3ccc(C(=N)NC(=O)OCc4ccccc4)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
CACNA1F O60840 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
MASP2 O00187 1/20 0.42
CHRM4 P08173 2/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
MCHR1 Q99705 1/20 0.40

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
SCHEMBL9568160 0.90 YAP1 (0.41) BCHEACHECACNA1FCACNA1DCACNA1S
Hydrochloric Acid SCHEMBL9568231 0.83 KDM4E (0.41) DRD2DRD4
SCHEMBL9173038 0.82 TP53 (0.39) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL9568134 0.80 YAP1 (0.39) MASP2
SCHEMBL7305795 0.78 MASP2 (0.39) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL7311085 0.78 MASP2 (0.37) MASP2
SCHEMBL7305157 0.78 MASP2 (0.37) MASP2
SCHEMBL8407202 0.76 YAP1 (0.49) MASP2
SCHEMBL7315764 0.75 MASP2 (0.39) MASP2
SCHEMBL7314657 0.75 ITGB3 (0.48) MASP2

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
EP-0574808-A1 Amidine-biphenyl derivatives, process for their production & medical preparation containing them Dr. Karl Thomae GmbH (DE) 1993-12-22 EP disclosed