SCHEMBL8512057

SCHEMBL8512057

CCCCCCCCCCCCN(CCCCCCCCCCCC)Cc1[nH]nnc1-c1ccccc1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ AGTR1 P30556 2/20 0.34
▸ AGTR2 P50052 2/20 0.34
▸ ICMT O60725 2/20 0.34
▸ TLR8 Q9NR97 1/20 0.33
▸ NMT2 O60551 1/20 0.33
▸ NMT1 P30419 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ ALB P02768 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32

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
SCHEMBL3626087 1.00 KCNH2 (0.36) KCNH2ALDH1A1TP53AGTR1AGTR2
SCHEMBL8510714 1.00 KCNH2 (0.36) KCNH2ALDH1A1TP53AGTR1AGTR2
SCHEMBL8512972 1.00 KCNH2 (0.36) KCNH2ALDH1A1TP53AGTR1AGTR2
SCHEMBL8510207 1.00 KCNH2 (0.36) KCNH2ALDH1A1TP53AGTR1AGTR2
SCHEMBL8513368 1.00 KCNH2 (0.36) KCNH2ALDH1A1TP53AGTR1AGTR2
SCHEMBL8510303 1.00 KCNH2 (0.36) KCNH2ALDH1A1TP53AGTR1AGTR2
SCHEMBL8511414 0.99 AGTR1 (0.34) KCNH2ALDH1A1TP53AGTR1AGTR2
SCHEMBL8514514 0.95 AGTR1 (0.36) AGTR1AGTR2TLR8NMT2NMT1
SCHEMBL8513162 0.90 GAA (0.36) ALDH1A1AGTR1AGTR2NMT2NMT1
SCHEMBL8513004 0.89 DRD2 (0.38) KCNH2ALDH1A1TP53ICMTTLR8

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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