SCHEMBL8715069

SCHEMBL8715069

COC1C(c2ncn(C)n2)C(OCCc2ccc3ccccc3c2)CCC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.35
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
ACHE P22303 1/20 0.33
SLC6A4 P31645 2/20 0.33
CNR1 P21554 2/20 0.33
HTR1A P08908 1/20 0.33
MCHR1 Q99705 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
HTR3A P46098 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTR4 Q13639 1/20 0.33
ADAM17 P78536 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL8714510 0.84 PDE10A (0.39) MEN1KMT2A
SCHEMBL8717661 0.84 HRH3 (0.36) HRH3AXLMERTKACHESLC6A4
SCHEMBL8714475 0.83 HRH3 (0.34) HRH3AXLMERTKSLC6A4HTR1A
SCHEMBL8714472 0.79 SLC6A2 (0.34) HRH3SLC6A4SLC6A2HTR2AHTR2C
SCHEMBL8715359 0.78 SLC6A2 (0.39) HRH3SLC6A4MCHR1SLC6A2HTR2A
SCHEMBL9250610 0.78 SLC6A2 (0.39) HRH3SLC6A4MCHR1SLC6A2HTR2A
SCHEMBL9244400 0.76 CYP19A1 (0.45) HRH3
SCHEMBL9249046 0.76 REN (0.43) HRH3AXLMERTKSLC6A4SLC6A2
SCHEMBL8714489 0.76 HRH3 (0.35) HRH3SLC6A4MCHR1SLC6A2HTR2A
SCHEMBL8715143 0.73 SIGMAR1 (0.34) HRH3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719291-A FUNGICIDE HOFFMANN-LA ROCHE INC. (US) 1998-02-17 US disclosed