SCHEMBL8514982

SCHEMBL8514982

CCCCN(CCCC)CCc1[nH]nnc1-c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 5/20 0.38
▸ ATP4B P51164 5/20 0.38
▸ KCNH2 Q12809 2/20 0.36
▸ HRH3 Q9Y5N1 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA1 P30542 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
SCHEMBL8515385 0.96 MCHR1 (0.38) ATP4AATP4BKCNH2HRH3ALDH1A1
SCHEMBL8514409 0.95 MCHR1 (0.40) ATP4AATP4BKCNH2HRH3ALDH1A1
SCHEMBL8510293 0.95 MCHR1 (0.40) ATP4AATP4BKCNH2HRH3ALDH1A1
SCHEMBL8512335 0.95 MCHR1 (0.40) ATP4AATP4BKCNH2HRH3ALDH1A1
SCHEMBL8510803 0.95 MCHR1 (0.40) ATP4AATP4BKCNH2HRH3ALDH1A1
SCHEMBL8514588 0.95 MCHR1 (0.40) ATP4AATP4BKCNH2HRH3ALDH1A1
SCHEMBL8513001 0.95 MCHR1 (0.40) ATP4AATP4BKCNH2HRH3ALDH1A1
SCHEMBL8512718 0.95 MCHR1 (0.40) ATP4AATP4BKCNH2HRH3ALDH1A1
SCHEMBL8513626 0.92 ALDH1A1 (0.35) KCNH2HRH3ALDH1A1LMNAMAPT
SCHEMBL8514512 0.88 MAPT (0.36) ATP4AATP4BKCNH2HRH3ALDH1A1

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
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