SCHEMBL5448239

SCHEMBL5448239

CCCc1ccc2[nH]nnc2c1CCN

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.32
HTR1A P08908 4/20 0.31
HTR1D P28221 3/20 0.31
HTR1B P28222 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR7 P34969 1/20 0.31
HTR3A P46098 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5450705 0.91 HTR1A (0.37) HTR6HTR1AHTR1DHTR1BCYP1A2
SCHEMBL11452189 0.91 HTR2A (0.32) HTR6HTR1AHTR1DHTR1BCYP1A2
SCHEMBL5459923 0.90 HTR1A (0.39) HTR1AHTR1DHTR1BCYP1A2CYP3A4
SCHEMBL5453435 0.89 DPP4 (0.30)
SCHEMBL5444828 0.89 HTR2A (0.41) HTR1AHTR1DHTR1BCYP1A2CYP3A4
SCHEMBL5450681 0.89 HTR2A (0.41) HTR1AHTR1DHTR1BCYP1A2CYP3A4
SCHEMBL5450694 0.89 HTR2A (0.41) HTR1AHTR1DHTR1BCYP1A2CYP3A4
SCHEMBL5460080 0.89 HTR2A (0.41) HTR1AHTR1DHTR1BCYP1A2CYP3A4
SCHEMBL5466830 0.89 HTR2A (0.41) HTR1AHTR1DHTR1BCYP1A2CYP3A4
SCHEMBL5465486 0.89 HTR2A (0.41) HTR1AHTR1DHTR1BCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796193-B2 Refrigerating machine oil compositions NIPPON OIL CORPORATION (JP) 2014-08-05 US disclosed
US-20070155635-A1 Refrigerating machine oil compositions NIPPON OIL CORPORATION (JP) 2007-07-05 US disclosed