SCHEMBL21941765

SCHEMBL21941765

NCC[C@@H](O)c1cccc(CCC2CCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 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
SCHEMBL612971 1.00 OPRM1 (0.37) OPRM1OPRD1OPRK1
SCHEMBL3191321 0.99 OPRM1 (0.39) OPRM1OPRD1OPRK1
SCHEMBL611541 0.99 OPRM1 (0.39) OPRM1OPRD1OPRK1
SCHEMBL10287095 0.99 OPRM1 (0.39) OPRM1OPRD1OPRK1
SCHEMBL612983 0.99 OPRM1 (0.39) OPRM1OPRD1OPRK1
SCHEMBL15463121 0.90 NMT2 (0.42) —
SCHEMBL16031728 0.88 PDE4A (0.35) —
SCHEMBL13559385 0.87 MEN1 (0.43) —
SCHEMBL10235806 0.86 BCHE (0.39) OPRM1OPRD1OPRK1
SCHEMBL10235827 0.85 BCHE (0.40) OPRM1OPRD1OPRK1

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-2844636-B1 METHODS FOR THE TREATMENT OF PROLIFERATIVE DIABETIC RETINOPATHY ACUCELA INC (US) 2020-04-22 — — EP disclosed
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