SCHEMBL11535339

SCHEMBL11535339

CN1C(=O)C[C@@]2(c3ccc(F)cc3)CCCC[C@H]2C1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.38
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 4/20 0.37
SLC6A9 P48067 9/20 0.35
OPRM1 P35372 3/20 0.35
KCNH2 Q12809 2/20 0.35
BACE1 P56817 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
PLA2G7 Q13093 1/20 0.33

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
SCHEMBL11535340 1.00 LIG1 (0.38) LIG1SLC6A2SLC6A4SLC6A3SLC6A9
SCHEMBL11539184 1.00 LIG1 (0.38) LIG1SLC6A2SLC6A4SLC6A3SLC6A9
SCHEMBL11187797 0.86 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3BACE1
SCHEMBL11534979 0.86 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3BACE1
SCHEMBL11187799 0.86 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3BACE1
SCHEMBL11247408 0.82 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3BACE1OPRK1
SCHEMBL11183844 0.77 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3OPRM1BACE1
SCHEMBL11539811 0.77 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3OPRM1BACE1
SCHEMBL11183841 0.77 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3OPRM1BACE1
SCHEMBL11252676 0.73 SLC6A4 (0.55) SLC6A2SLC6A4SLC6A3BACE1

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-4150135-A ANALGESICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-04-17 US disclosed