SCHEMBL11748732

SCHEMBL11748732

CN(Cc1ccccc1)C1CCCCC1Cl

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.67
SIGMAR1 Q99720 2/20 0.44
LTA4H P09960 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
OPRM1 P35372 3/20 0.43
OPRK1 P41145 2/20 0.43
OPRD1 P41143 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
GRIN2B Q13224 1/20 0.41
AOC3 Q16853 1/20 0.40

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
SCHEMBL11463073 0.83 SLC18A3 (0.71) SLC18A3SIGMAR1LTA4HHRH4HRH3
SCHEMBL6391373 0.80 SLC18A3 (1.00) SLC18A3SIGMAR1LTA4HHRH4HRH3
SCHEMBL6391371 0.80 SLC18A3 (1.00) SLC18A3SIGMAR1LTA4HHRH4HRH3
SCHEMBL9433040 0.80 SLC18A3 (1.00) SLC18A3SIGMAR1LTA4HHRH4HRH3
SCHEMBL11464581 0.79 SLC18A3 (0.66) SLC18A3SIGMAR1HRH4HRH3OPRM1
SCHEMBL11465060 0.78 SLC18A3 (0.63) SLC18A3SIGMAR1LTA4HHRH4HRH3
SCHEMBL11465061 0.78 SLC18A3 (0.63) SLC18A3SIGMAR1LTA4HHRH4HRH3
SCHEMBL12139118 0.78 SLC18A3 (0.63) SLC18A3SIGMAR1LTA4HHRH4HRH3
SCHEMBL13452424 0.78 SLC18A3 (0.68) SLC18A3SIGMAR1LTA4HHRH4HRH3
SCHEMBL11465059 0.78 SLC18A3 (0.63) SLC18A3SIGMAR1LTA4HHRH4HRH3

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-4003931-A ANTIINFLAMMATORY AGENTS, ANALGESICS FUVEAU S.A. (FR) 1977-01-18 US disclosed