SCHEMBL16151964

SCHEMBL16151964

CC(=O)[C@@H](CN1CC[C@@H](O)C1)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 6/20 0.46
▸ OPRM1 P35372 2/20 0.46
▸ OPRD1 P41143 2/20 0.46
▸ CYP2D6 P10635 5/20 0.43

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
SCHEMBL16151887 0.89 STAT3 (0.38) —
SCHEMBL16151889 0.89 STAT3 (0.38) —
SCHEMBL16131645 0.88 OPRK1 (0.46) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL12188580 0.88 OPRK1 (0.46) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL16131646 0.88 OPRK1 (0.46) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL16151930 0.83 PAX8 (0.42) —
SCHEMBL16151954 0.83 CCR5 (0.41) OPRK1OPRM1OPRD1
SCHEMBL16151963 0.83 CCR5 (0.41) OPRK1OPRM1OPRD1
SCHEMBL16151962 0.80 L3MBTL3 (0.41) OPRM1OPRD1CYP2D6
SCHEMBL16151955 0.80 L3MBTL3 (0.41) OPRM1OPRD1CYP2D6

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
US-8853199-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-10-07 — — US disclosed
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