SCHEMBL18993329

SCHEMBL18993329

CO[C@@H]1CN(c2nc(C)ccc2-c2noc(C)n2)CC[C@@H]1NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 20/20 1.00

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
SCHEMBL18993328 1.00 OPRK1 (1.00) OPRK1
SCHEMBL18994793 0.86 OPRK1 (0.76) OPRK1
SCHEMBL16944878 0.86 OPRK1 (1.00) OPRK1
SCHEMBL18993265 0.86 OPRK1 (1.00) OPRK1
SCHEMBL16944923 0.86 OPRK1 (1.00) OPRK1
SCHEMBL18993308 0.85 OPRK1 (1.00) OPRK1
SCHEMBL18993311 0.85 OPRK1 (1.00) OPRK1
SCHEMBL18993326 0.81 OPRK1 (1.00) OPRK1
SCHEMBL18993325 0.81 OPRK1 (1.00) OPRK1
SCHEMBL16944966 0.76 OPRK1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682966-B2 Kappa opioid ligands THE SCRIPPS RESEARCH INSTITUTE (US) 2017-06-20 — — US disclosed
US-9682966-B2 Kappa opioid ligands THE SCRIPPS RESEARCH INSTITUTE (US) 2017-06-20 — — US disclosed
Send feedback