SCHEMBL10566765

SCHEMBL10566765

Cc1nc(C)c(C(=O)O)c(-c2cc([N+](=O)[O-])ccc2OCCCCNCCCOc2ccccc2)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.51
▸ DRD4 P21917 2/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ CYP2D6 P10635 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.44
▸ HTT P42858 2/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL10566772 1.00 DRD2 (0.51) DRD2DRD4DRD3CYP2D6MAPK1
Oxalic Acid SCHEMBL10566726 0.98 DRD2 (0.49) DRD2DRD4DRD3CYP2D6MAPK1
Oxalic Acid SCHEMBL10566732 0.98 DRD2 (0.49) DRD2DRD4DRD3CYP2D6MAPK1
SCHEMBL10565925 0.93 DRD2 (0.49) DRD2DRD4DRD3CYP2D6MAPK1
Oxalic Acid SCHEMBL10567216 0.91 ALDH1A1 (0.48) DRD2DRD4DRD3CYP2D6MAPK1
Oxalic Acid SCHEMBL10567218 0.91 ALDH1A1 (0.48) DRD2DRD4DRD3CYP2D6MAPK1
SCHEMBL10577903 0.91 ALDH1A1 (0.43) DRD2DRD4DRD3CYP2D6ALDH1A1
Oxalic Acid SCHEMBL10577726 0.90 ALDH1A1 (0.46) DRD2DRD4DRD3CYP2D6ALDH1A1
SCHEMBL10524580 0.89 ADRB2 (0.44) DRD2DRD4DRD3CYP2D6MAPK1
SCHEMBL10524588 0.89 ADRB2 (0.44) DRD2DRD4DRD3CYP2D6MAPK1

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
US-4843085-A LOCAL ANESTHETICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1989-06-27 — — US disclosed
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