SCHEMBL3302286

SCHEMBL3302286

CCCCCCCCN(CCCC)c1ccccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.45
CRHR1 P34998 1/20 0.43
SOAT1 P35610 3/20 0.42
ICMT O60725 1/20 0.39
ALB P02768 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
DRD2 P14416 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL28724605 0.98 KCNH2 (0.46) KCNH2CRHR1SOAT1ICMTALB
SCHEMBL18498551 0.97 CRHR1 (0.44) KCNH2CRHR1SOAT1ICMTALB
SCHEMBL12983559 0.95 CRHR1 (0.46) KCNH2CRHR1SOAT1PDE4APDE4B
SCHEMBL18507942 0.87 CRHR1 (0.43) KCNH2CRHR1DRD2OPRM1DRD3
SCHEMBL5182601 0.86 KCNH2 (0.49) KCNH2CRHR1ICMTALBDRD2
SCHEMBL12984109 0.84 CRHR1 (0.55) CRHR1DRD2
SCHEMBL5182605 0.84 CRHR1 (0.44) KCNH2CRHR1SOAT1ICMTALB
SCHEMBL3135698 0.83 SOAT1 (0.44) SOAT1ICMTALBAGTR1AGTR2
SCHEMBL21357030 0.82 KCNH2 (0.38) KCNH2CRHR1SOAT1
SCHEMBL9798892 0.82 KCNH2 (0.47) KCNH2ICMTALBDRD2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114395437-B Illumination-resistant anti-rust oil composition 江苏鑫露新材料有限公司 2022-08-30 CN claimed
CN-114395437-A Illumination-resistant anti-rust oil composition 江苏鑫露新材料有限公司 2022-04-26 CN claimed
CN-114395437-B Illumination-resistant anti-rust oil composition 江苏鑫露新材料有限公司 2022-08-30 CN disclosed
CN-114395437-A Illumination-resistant anti-rust oil composition 江苏鑫露新材料有限公司 2022-04-26 CN disclosed
EP-2428553-B1 Lubricating oil composition NIPPON OIL CORP (JP) 2013-05-22 EP disclosed
US-8299006-B2 Compressor oil composition NIPPON OIL CORPORATION (JP) 2012-10-30 US disclosed
US-8247360-B2 Heat treating oil composition NIPPON OIL CORPORATION (JP) 2012-08-21 US disclosed
US-8236740-B2 Lubricating oil composition NIPPON OIL CORPORATION (JP) 2012-08-07 US disclosed
US-8232233-B2 Lubricating oil composition for machine tools NIPPON OIL CORPORATION (JP) 2012-07-31 US disclosed
US-8227387-B2 Metalworking oil composition NIPPON OIL CORPORATION (JP) 2012-07-24 US disclosed
US-8227388-B2 Hydraulic oil composition NIPPON OIL CORPORATION (JP) 2012-07-24 US disclosed
US-8193129-B2 Refrigerator oil, compressor oil composition, hydraulic fluid composition, metalworking fluid composition, heat treatment oil composition, lubricant composition for machine tool and lubricant composition NIPPON OIL CORPORATION (JP) 2012-06-05 US disclosed
US-20100093568-A1 REFRIGERATOR OIL, COMPRESSOR OIL COMPOSITION, HYDRAULIC FLUID COMPOSITION, METALWORKING FLUID COMPOSITION, HEAT TREATMENT OIL COMPOSITION, LUBRICANT COMPOSITION FOR MACHINE TOOL AND LUBRICANT COMPOSITION NIPPON OIL CORPORATION (JP) 2010-04-15 US disclosed
EP-2039746-A1 REFRIGERATOR OIL, COMPRESSOR OIL COMPOSITION, HYDRAULIC FLUID COMPOSITION, METALWORKING FLUID COMPOSITION, HEAT TREATMENT OIL COMPOSITION, LUBRICANT COMPOSITION FOR MACHINE TOOL AND LUBRICANT COMPOSITION Nippon Oil Corporation (JP) 2009-03-25 EP disclosed