SCHEMBL14108552

SCHEMBL14108552

CC[C@H](c1cccc(OC(=O)NCC2(CC(=O)OC(C)C)CCCCC2)c1)[C@@H](C)CN(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.41
OPRM1 P35372 1/20 0.41
ACHE P22303 14/20 0.38
BCHE P06276 12/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
TP53 P04637 1/20 0.35
FAAH O00519 1/20 0.35
MARK4 Q96L34 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
SCHEMBL14108561 0.94 SLC22A1 (0.43) SLC22A1OPRM1ACHEBCHESLC6A2
SCHEMBL14108644 0.92 SLC22A1 (0.42) SLC22A1OPRM1ACHEBCHESLC6A2
SCHEMBL14108578 0.91 SLC22A1 (0.43) SLC22A1OPRM1ACHEBCHESLC6A2
SCHEMBL14108562 0.90 SLC22A1 (0.39) SLC22A1OPRM1ACHEBCHESLC6A2
SCHEMBL1746077 0.89 SLC22A1 (0.42) SLC22A1OPRM1ACHEBCHESLC6A2
SCHEMBL14108556 0.89 SLC22A1 (0.41) SLC22A1OPRM1ACHEBCHESLC6A2
SCHEMBL14127021 0.86 ACHE (0.39) ACHEBCHESLC6A2SLC6A4TP53
SCHEMBL12047316 0.82 SLC22A1 (0.47) SLC22A1OPRM1ACHEBCHESLC6A2
SCHEMBL10031276 0.82 SLC22A1 (0.47) SLC22A1OPRM1ACHEBCHESLC6A2
SCHEMBL14127399 0.80 ACHE (0.39) ACHEBCHESLC6A2SLC6A4TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012164055-A2 NEW COMPOUNDS, SYNTHESIS AND USE THEREOF IN THE TREATMENT OF PAIN LACER, S.A. (ES) 2012-12-06 WO disclosed
EP-2530072-A1 New compounds, synthesis and use thereof in the treatment of pain LACER, S.A. (ES) 2012-12-05 EP disclosed