SCHEMBL27833640

SCHEMBL27833640

CCOC(=O)c1ccccc1Oc1ccc(N2CCN(Cc3cc(CCN4CCCC4)ccc3-c3ccc(Cl)cc3)CC2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 4/20 0.43
▸ BCL2 P10415 1/20 0.42
▸ SMYD2 Q9NRG4 2/20 0.40
▸ ADRA1D P25100 2/20 0.39
▸ ADRA1A P35348 2/20 0.39
▸ ADRA1B P35368 2/20 0.39
▸ HTR1A P08908 2/20 0.39
▸ DRD2 P14416 2/20 0.38
▸ DRD4 P21917 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ PRMT1 Q99873 1/20 0.38
▸ HRH2 P25021 1/20 0.38
▸ HRH1 P35367 1/20 0.38

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
SCHEMBL1954789 0.84 BCL2 (0.58) BCL2
SCHEMBL1955329 0.74 BCL2 (0.61) BCL2
SCHEMBL27831940 0.73 HRH3 (0.49) BCL2HTR1ADRD2DRD3HRH1
SCHEMBL1742850 0.72 BCL2 (0.63) BCL2
SCHEMBL1958460 0.71 BCL2 (0.48) HTR7BCL2DRD2DRD4DRD3
SCHEMBL1957923 0.70 BCL2 (0.49) BCL2
SCHEMBL27831837 0.70 HTR1A (0.49) HTR1ADRD2DRD3HRH1
SCHEMBL12991997 0.69 KCNH2 (0.48) —
SCHEMBL1957460 0.69 BCL2 (0.53) BCL2
SCHEMBL1959356 0.68 BCL2 (0.52) BCL2

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
CN-102307622-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2012-01-04 — — CN disclosed
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