SCHEMBL3249537

SCHEMBL3249537

CCC(=O)N(c1ccccc1)C(CCc1ccccc1F)C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MBTPS1 Q14703 1/20 0.43
SLC6A2 P23975 6/20 0.42
SLC6A3 Q01959 2/20 0.42
OPRM1 P35372 5/20 0.40
SLC6A4 P31645 4/20 0.39
OPRD1 P41143 1/20 0.38
CCR5 P51681 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35

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
SCHEMBL3083015 0.91 OPRM1 (0.43) SLC6A2SLC6A3OPRM1SLC6A4OPRD1
SCHEMBL3089729 0.88 OPRM1 (0.43) SLC6A2SLC6A3OPRM1SLC6A4OPRD1
SCHEMBL3094952 0.88 OPRM1 (0.43) SLC6A2SLC6A3OPRM1SLC6A4OPRD1
SCHEMBL3089649 0.86 OPRM1 (0.44) SLC6A2SLC6A3OPRM1SLC6A4OPRD1
SCHEMBL3088108 0.85 SLC6A4 (0.41) SLC6A2SLC6A3OPRM1SLC6A4
SCHEMBL3091600 0.84 OPRM1 (0.44) SLC6A2SLC6A3OPRM1SLC6A4OPRD1
SCHEMBL3081588 0.83 SLC6A3 (0.39) MBTPS1SLC6A2SLC6A3OPRM1SLC6A4
SCHEMBL3091637 0.82 OPRM1 (0.46) OPRM1ALDH1A1LMNASMN1; SMN2
SCHEMBL3088993 0.82 SLC6A2 (0.42) SLC6A2SLC6A3OPRM1SLC6A4CCR5
SCHEMBL3097551 0.82 IDH1 (0.40) SLC6A2SLC6A3OPRM1SLC6A4

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-1987001-B1 1-PHENETHYLPIPERIDINE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NEUROSEARCH AS (DK) 2010-05-05 EP disclosed