SCHEMBL13844008

SCHEMBL13844008

CC(C)(C)OC(=O)Nc1ccc(OP(C)(=O)O)cc1C(=N)c1cc2cc(OCCN3CCN(C(=O)OC(C)(C)C)CC3)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 7/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ GPR4 P46093 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ HRH2 P25021 5/20 0.35
▸ HRH1 P35367 5/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ ACKR3 P25106 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL3923435 0.75 GPR4 (0.41) EPHX2GPR4PDE3BPDE3AACKR3
SCHEMBL30597772 0.71 KDM4E (0.49) FLT3
SCHEMBL13291530 0.66 PSMB1 (0.48) GPR4FLT3
SCHEMBL3921357 0.66 GPR4 (0.43) EPHX2RXFP1GPR4PDE3BPDE3A
SCHEMBL20423457 0.66 DRD3 (0.55) EPHX2GPR4HRH2HRH1DRD2
SCHEMBL30812113 0.65 EPHX2 (0.60) EPHX2RXFP1GPR4DRD2DRD3
SCHEMBL13291514 0.65 BRD4 (0.49) EPHX2GPR4
SCHEMBL216291 0.64 EPHX2 (0.52) EPHX2GPR4DRD2DRD3ACKR3
SCHEMBL31245991 0.64 EPHX2 (0.59) EPHX2RXFP1GPR4DRD2DRD3
SCHEMBL19479118 0.64 DRD3 (0.70) HRH2HRH1DRD2DRD3

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-1732938-B1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2009-05-06 — — EP disclosed
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