SCHEMBL21513233

SCHEMBL21513233

Nc1cc(Br)cnc1N1CCC(N2CCCCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 9/20 0.60
▸ HRH3 Q9Y5N1 8/20 0.54
▸ L3MBTL3 Q96JM7 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ L3MBTL4 Q8NA19 1/20 0.43
▸ KCNH2 Q12809 2/20 0.40

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
SCHEMBL29969762 1.00 OPRK1 (0.60) OPRK1HRH3L3MBTL3L3MBTL1L3MBTL4
SCHEMBL21513246 0.92 OPRK1 (0.52) OPRK1HRH3L3MBTL3L3MBTL1L3MBTL4
SCHEMBL29968880 0.92 OPRK1 (0.52) OPRK1HRH3L3MBTL3L3MBTL1L3MBTL4
SCHEMBL21513421 0.87 OPRK1 (0.46) OPRK1HRH3L3MBTL3L3MBTL1L3MBTL4
SCHEMBL29968794 0.87 OPRK1 (0.46) OPRK1HRH3L3MBTL3L3MBTL1L3MBTL4
SCHEMBL21513235 0.86 OPRK1 (0.46) OPRK1HRH3
SCHEMBL21513426 0.86 OPRK1 (0.44) OPRK1HRH3L3MBTL3L3MBTL1L3MBTL4
SCHEMBL29970932 0.86 OPRK1 (0.44) OPRK1HRH3L3MBTL3L3MBTL1L3MBTL4
SCHEMBL2711135 0.85 HTT (0.43) OPRK1
SCHEMBL21513238 0.80 OPRK1 (0.48) OPRK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 — — EP disclosed
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 — — EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 — — EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 — — EP disclosed
WO-2019201283-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS, INC. (US) 2019-10-24 — — WO disclosed
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