SCHEMBL21513247

SCHEMBL21513247

CN(C)CC1CCN(c2ncc(Br)cc2N)CC1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 19/20 0.40
▸ USP14 P54578 1/20 0.37

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
SCHEMBL29968822 1.00 OPRK1 (0.40) OPRK1USP14
SCHEMBL21513232 0.86 OPRK1 (0.33) OPRK1
SCHEMBL21494392 0.82 OPRK1 (0.47) OPRK1
SCHEMBL30866880 0.82 OPRK1 (0.47) OPRK1
SCHEMBL21513238 0.80 OPRK1 (0.48) OPRK1
SCHEMBL29969591 0.80 OPRK1 (0.48) OPRK1
SCHEMBL29968881 0.79 ALDH1A1 (0.44) OPRK1USP14
SCHEMBL26131943 0.79 ALDH1A1 (0.44) OPRK1USP14
SCHEMBL26590384 0.78 OPRK1 (0.41) OPRK1USP14
SCHEMBL21513242 0.77 JAK2 (0.44) 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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