SCHEMBL8719425

SCHEMBL8719425

CC1(C)CCC(OCCc2ccc3ccccc3c2)C(CO)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
HTR3A P46098 1/20 0.38
HTR4 Q13639 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
ADAM17 P78536 1/20 0.37
GBA1 P04062 2/20 0.36
UGCG Q16739 2/20 0.36
GBA2 Q9HCG7 2/20 0.36
KDM1A O60341 2/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
KCNH2 Q12809 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34

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
SCHEMBL9247755 1.00 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL8718767 0.81 HRH3 (0.40) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL9243845 0.81 HRH3 (0.40) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL9243839 0.81 HRH3 (0.40) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL9246203 0.81 CYP19A1 (0.46) HRH3
SCHEMBL8715302 0.80 CYP1A2 (0.37)
SCHEMBL9248655 0.80 CYP1A2 (0.37)
SCHEMBL9246189 0.80 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL9244485 0.80 REN (0.47) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL8715359 0.77 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HTR2AHTR2C

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