SCHEMBL16151896

SCHEMBL16151896

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.36
▸ CCR5 P51681 2/20 0.35
▸ OPRD1 P41143 3/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL16151917 0.90 AKT1 (0.40) OPRM1CCR5KCNH2GPR119
SCHEMBL683587 0.90 AKT1 (0.40) OPRM1CCR5KCNH2GPR119
SCHEMBL16151954 0.83 CCR5 (0.41) OPRM1CCR5OPRD1OPRK1
SCHEMBL16151963 0.83 CCR5 (0.41) OPRM1CCR5OPRD1OPRK1
SCHEMBL16151930 0.81 PAX8 (0.42) —
SCHEMBL8217390 0.81 AKT1 (0.40) OPRM1CCR5KCNH2GPR119
SCHEMBL16151955 0.81 L3MBTL3 (0.41) OPRM1CCR5OPRD1KCNH2
SCHEMBL16151962 0.81 L3MBTL3 (0.41) OPRM1CCR5OPRD1KCNH2
SCHEMBL16151964 0.79 OPRK1 (0.46) OPRM1OPRD1OPRK1
SCHEMBL22622536 0.79 AKT1 (0.39) OPRM1CCR5KCNH2GPR119

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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