SCHEMBL8514983

SCHEMBL8514983

CCCCN(CCCC)CCc1[nH]nnc1-c1ccccc1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.36
▸ OPRM1 P35372 3/20 0.36
▸ DRD3 P35462 3/20 0.36
▸ OPRD1 P41143 3/20 0.36
▸ OPRK1 P41145 3/20 0.36
▸ AGTR1 P30556 1/20 0.34
▸ AGTR2 P50052 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ S100A4 P26447 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ATP4A P20648 1/20 0.32
▸ ATP4B P51164 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL8515386 0.96 DRD2 (0.37) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL8510296 0.95 DRD2 (0.38) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL8512340 0.95 DRD2 (0.38) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL8514413 0.95 DRD2 (0.38) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL8514593 0.95 DRD2 (0.38) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL8512720 0.95 DRD2 (0.38) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL8513004 0.95 DRD2 (0.38) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL8510807 0.95 DRD2 (0.38) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL8513628 0.92 HTR1A (0.37) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL8514514 0.88 AGTR1 (0.36) AGTR1AGTR2BCHEGAAHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471896-B1 REFRIGERANT OIL FOR FREEZERS AND OPERATING FLUID COMPOSITION FOR FREEZERS JX NIPPON OIL & ENERGY CORP (JP) 2017-05-24 — — EP disclosed
US-9090806-B2 Refrigerant oil for freezers and operating fluid composition for freezers JX NIPPON OIL & ENERGY CORPORATION (JP) 2015-07-28 — — US disclosed
US-8889031-B2 Working fluid composition for refrigerator machine and refrigerating machine oil JX NIPPON OIL & ENERGY CORPORATION (JP) 2014-11-18 — — US disclosed
EP-2740784-A1 Refrigerant oil for freezers and operating fluid composition for freezers JX Nippon Oil & Energy Corporation (JP) 2014-06-11 — — EP disclosed
EP-2733192-A1 Refrigerant oil for freezers and operating fluid composition for freezers JX Nippon Oil & Energy Corporation (JP) 2014-05-21 — — EP disclosed
US-20120228541-A1 REFRIGERANT OIL FOR FREEZERS AND OPERATING FLUID COMPOSITION FOR FREEZERS JX NIPPON OIL & ENERGY CORPORATION (JP) 2012-09-13 — — US disclosed
EP-2471896-A1 REFRIGERANT OIL FOR FREEZERS AND OPERATING FLUID COMPOSITION FOR FREEZERS JX Nippon Oil & Energy Corporation (JP) 2012-07-04 — — EP disclosed
US-20120132848-A1 WORKING FLUID COMPOSITION FOR REFRIGERATOR MACHINE AND REFRIGERATING MACHINE OIL JX NIPPON OIL & ENERGY CORPORATION (JP) 2012-05-31 — — US disclosed
Send feedback