SCHEMBL9568173

SCHEMBL9568173

COC(=O)CC1CCN(Cc2ccc(-c3ccc(C(=N)N)cc3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.48
GAA P10253 1/20 0.47
POLB P06746 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
CHKA P35790 1/20 0.46
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL8410267 0.99 CHRM4 (0.48) CHRM4GAAPOLBDRD2DRD4
Hydrochloric Acid SCHEMBL8407510 0.92 LTA4H (0.47) CHRM4GAAPOLBDRD2DRD4
Hydrochloric Acid SCHEMBL8409952 0.86 CYP2D6 (0.47) GAAPOLBCHKA
SCHEMBL8409031 0.86 ITGB3 (0.55) GAAITGB3ITGA2B
SCHEMBL8714606 0.86 POLB (0.49) CHRM4POLBDRD2DRD4
Hydrochloric Acid SCHEMBL8949123 0.85 ITGB3 (0.40) CHRM4ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8408022 0.84 LTA4H (0.50) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL9568119 0.84 F2 (0.47) GAAITGB3ITGA2B
SCHEMBL9186836 0.84 ITGB3 (0.51) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8714443 0.84 F2 (0.53) ITGB3ITGA2B

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