SCHEMBL5458737

SCHEMBL5458737

Cc1cc2[nH]nnc2c(CCN)c1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.37
HRH1 P35367 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HTR6 P50406 2/20 0.33
KRAS P01116 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR7 P34969 1/20 0.33
HTR3A P46098 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TAAR1 Q96RJ0 2/20 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
SCHEMBL2491037 0.86
SCHEMBL38658320 0.78 HRH1 (0.33) HTR1DHRH1HRH4
SCHEMBL5467268 0.76 TAAR1 (0.33) HTR1DHTR6TAAR1
SCHEMBL11452189 0.71 HTR2A (0.32) HTR1DHTR6CYP1A2CYP3A4CYP2D6
SCHEMBL5448239 0.70 HTR6 (0.32) HTR1DHTR6CYP1A2CYP3A4CYP2D6
SCHEMBL1019380 0.69 CYP1A2 (0.32) CYP1A2
SCHEMBL5702709 0.69 ADORA3 (0.35)
SCHEMBL10884468 0.68 HCAR3 (0.31)
SCHEMBL5450705 0.68 HTR1A (0.37) HTR1DHTR6CYP1A2CYP3A4CYP2D6
SCHEMBL5459923 0.67 HTR1A (0.39) HTR1DCYP1A2CYP3A4CYP2D6CYP2C9

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-105567397-A Refrigerating machine oil and working fliud composition for refrigerating machine JX NIPPON OIL & ENERGY CORP 2016-05-11 CN disclosed
CN-102482611-B Refrigerator oil and working fluid composition for refrigerator JX NIPPON OIL & ENERGY CORP. (JP) 2016-01-20 CN disclosed
US-8796193-B2 Refrigerating machine oil compositions NIPPON OIL CORPORATION (JP) 2014-08-05 US disclosed
CN-103589486-A Refrigerant oil and operating fluid composition for freezer JX NIPPON OIL & ENERGY CORP 2014-02-19 CN disclosed
CN-102533392-A Working fluid composition for refrigerator machine and refrigerating machine oil JX NIPPON OIL & ENERGY CORP 2012-07-04 CN disclosed
CN-102482611-A Refrigerator oil and working fluid composition for refrigerator JX NIPPON OIL & ENERGY CORP 2012-05-30 CN disclosed
CN-1930276-B Refrigerating machine oil composition NIPPON OIL CORP 2010-08-04 CN disclosed
CN-100593563-C Refrigerating machine oil NIPPON OIL CORP 2010-03-10 CN disclosed
US-20070155635-A1 Refrigerating machine oil compositions NIPPON OIL CORPORATION (JP) 2007-07-05 US disclosed
CN-1938408-A Lubricating composition for industrial machinery NIPPON OIL CORP (JP) 2007-03-28 CN disclosed
CN-1930276-A Refrigerating machine oil composition NIPPON OIL CORP (JP) 2007-03-14 CN disclosed
CN-1930274-A Refrigerating machine oil NIPPON OIL CORP (JP) 2007-03-14 CN disclosed
CN-1214093-C Turbine oil composition NIPPON MITSUBISHI OIL CORP (JP) 2005-08-10 CN disclosed
CN-1227258-A Turbine oil composition NIPPON OIL CO LTD (JP) 1999-09-01 CN disclosed