SCHEMBL16795122

SCHEMBL16795122

CN(C)C1CCN(c2ncc(Br)cc2O)CC1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 20/20 0.50

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
SCHEMBL30866880 0.83 OPRK1 (0.47) OPRK1
SCHEMBL21494392 0.83 OPRK1 (0.47) OPRK1
SCHEMBL16795172 0.81 ALK (0.38) OPRK1
SCHEMBL26130393 0.78 ALDH1A1 (0.47) OPRK1
SCHEMBL29493167 0.78 ALDH1A1 (0.47) OPRK1
SCHEMBL390675 0.76 OPRK1 (0.44) OPRK1
SCHEMBL390676 0.76 OPRK1 (0.44) OPRK1
SCHEMBL26590381 0.76 OPRK1 (0.47) OPRK1
SCHEMBL31217395 0.75 PTPN11 (0.45) OPRK1
SCHEMBL29969803 0.75 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 — — WO disclosed
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