SCHEMBL8513161

SCHEMBL8513161

CCCN(CCC)Cc1[nH]nnc1-c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ LMNA P02545 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ GPR35 Q9HC97 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
SCHEMBL8514512 0.92 MAPT (0.36) HRH3ALDH1A1KCNH2MAPTMEN1
SCHEMBL8511411 0.90 MCHR1 (0.39) HRH3ALDH1A1KCNH2MAPTMEN1
SCHEMBL8513364 0.89 MCHR1 (0.41) HRH3ALDH1A1KCNH2MAPTLMNA
SCHEMBL3626086 0.89 MCHR1 (0.41) HRH3ALDH1A1KCNH2MAPTLMNA
SCHEMBL8510205 0.89 MCHR1 (0.41) HRH3ALDH1A1KCNH2MAPTLMNA
SCHEMBL8510299 0.89 MCHR1 (0.41) HRH3ALDH1A1KCNH2MAPTLMNA
SCHEMBL8510711 0.89 MCHR1 (0.41) HRH3ALDH1A1KCNH2MAPTLMNA
SCHEMBL8512054 0.89 MCHR1 (0.41) HRH3ALDH1A1KCNH2MAPTLMNA
SCHEMBL8512969 0.89 MCHR1 (0.41) HRH3ALDH1A1KCNH2MAPTLMNA
SCHEMBL284487 0.88 ALDH1A1 (0.39) HRH3ALDH1A1MAPTMEN1KMT2A

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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