SCHEMBL22797004

SCHEMBL22797004

O=C1CCN1c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 6/20 0.54
▸ CYP11B1 P15538 5/20 0.54
▸ HDAC1 Q13547 1/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ GAA P10253 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ GRM5 P41594 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ EP300 Q09472 1/20 0.45
▸ KAT2B Q92831 1/20 0.45
▸ CHRNB2 P17787 1/20 0.45
▸ CHRNA4 P43681 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
SCHEMBL306879 0.89 GAA (0.58) CYP11B2CYP11B1HDAC1DRD2DRD3
SCHEMBL31700253 0.89 GAA (0.58) CYP11B2CYP11B1HDAC1DRD2DRD3
SCHEMBL5606442 0.88 GAA (0.53) CYP11B2CYP11B1HDAC1DRD2DRD3
SCHEMBL31500101 0.88 GAA (0.53) CYP11B2CYP11B1HDAC1DRD2DRD3
SCHEMBL22144575 0.80 CRBN (0.65) CYP11B2CYP11B1HDAC1DRD2DRD3
SCHEMBL6068510 0.80 CYP11B2 (0.47) CYP11B2CYP11B1HDAC1DRD2DRD3
SCHEMBL5740638 0.78 PTGS2 (0.48) CYP11B2CYP11B1HDAC1DRD2DRD3
Hydrochloric Acid SCHEMBL30621177 0.78 CRBN (0.63) CYP11B2CYP11B1HDAC1DRD2DRD3
SCHEMBL5765571 0.78 CHRNB2 (0.51) CYP11B2CYP11B1HDAC1DRD2DRD3
Trifluoroacetic Acid SCHEMBL30547501 0.78 ALDH1A1 (0.50) CYP11B2CYP11B1HDAC1DRD2DRD3

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
WO-2020252151-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2020-12-17 — — WO disclosed
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