SCHEMBL20119927

SCHEMBL20119927

Cc1ccccc1CN1C(=O)C2=C(CCN(CC3=CCC(C(C)(C)C)C=C3)C2)N2CCN=C12

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CLPP Q16740 7/20 0.68
▸ CYP3A4 P08684 2/20 0.68
▸ GPR132 Q9UNW8 2/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ DRD2 P14416 1/20 0.68
▸ DRD3 P35462 1/20 0.68
▸ KCNH2 Q12809 1/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ HDAC1 Q13547 6/20 0.55
▸ HDAC3 O15379 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ NCOR2 Q9Y618 1/20 0.45
▸ CYP2C19 P33261 1/20 0.32
▸ PRMT5 O14744 2/20 0.31
▸ WDR77 Q9BQA1 2/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 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
SCHEMBL18254991 0.84 CLPP (0.89) CLPPCYP3A4GPR132CYP2D6DRD2
SCHEMBL21418081 0.84 CLPP (0.75) CLPPCYP3A4GPR132CYP2D6DRD2
SCHEMBL20120045 0.81 CLPP (0.71) CLPPCYP3A4GPR132CYP2D6DRD2
Dordaviprone SCHEMBL29359574 0.81 CLPP (1.00) CLPPCYP3A4GPR132CYP2D6DRD2
Dordaviprone SCHEMBL16227974 0.81 CLPP (1.00) CLPPCYP3A4GPR132CYP2D6DRD2
SCHEMBL26265189 0.81 CLPP (0.88) CLPPCYP3A4GPR132CYP2D6DRD2
SCHEMBL22064624 0.80 CLPP (0.57) CLPPCYP3A4GPR132CYP2D6DRD2
Dordaviprone SCHEMBL31548590 0.80 CLPP (0.98) CLPPCYP3A4GPR132CYP2D6DRD2
Dordaviprone SCHEMBL29414943 0.80 CLPP (0.98) CLPPCYP3A4GPR132CYP2D6DRD2
SCHEMBL18254996 0.80 CLPP (0.83) CLPPCYP3A4GPR132CYP2D6DRD2

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-3315498-A1 IMIDAZO-PYRIMIDONE COMPOUNDS, AND PREPARATION METHOD AND APPLICATION THEREOF Nanjing Gator Meditech Company, Ltd. (CN) 2018-05-02 — — EP disclosed
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