SCHEMBL21171249

SCHEMBL21171249

FC(F)(F)c1cc(Br)cnc1N1CCC(NI)CC1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 19/20 0.44
▸ SSTR4 P31391 1/20 0.41

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
SCHEMBL16944572 0.85 OPRK1 (0.63) OPRK1
SCHEMBL18994656 0.82 FLT3 (0.41) OPRK1SSTR4
SCHEMBL20045330 0.77 OPRK1 (0.46) OPRK1
SCHEMBL3953284 0.76 KDM4E (0.48) —
SCHEMBL2418069 0.76 EPHX2 (0.56) —
SCHEMBL22907106 0.73 OPRK1 (0.37) OPRK1SSTR4
SCHEMBL29631786 0.72 HSD11B1 (0.46) OPRK1
SCHEMBL25768617 0.70 CKS1B (0.50) OPRK1SSTR4
SCHEMBL25316582 0.69 PDE3B (0.38) OPRK1SSTR4
SCHEMBL30507261 0.69 PDE3B (0.38) OPRK1SSTR4

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
EP-2884978-B1 NOVEL KAPPA OPIOID LIGANDS SCRIPPS RESEARCH INST (US) 2019-07-17 — — EP disclosed
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