SCHEMBL28246642

SCHEMBL28246642

CCCc1sc2ccccc2c1CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.48
CNR1 P21554 3/20 0.48
HRH1 P35367 2/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
HTR2A P28223 1/20 0.44
PTPN1 P18031 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
GPR3 P46089 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
NPY1R P25929 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL14045624 0.86 CNR2 (0.46) CNR2CNR1HRH1CYP2D6CHRM1
SCHEMBL20917715 0.82 HRH1 (0.40) CNR2CNR1HRH1CYP2D6CHRM1
SCHEMBL11321079 0.81 NPY1R (0.49) CNR2CNR1HRH1CYP2D6CHRM1
SCHEMBL31691151 0.81 NPY1R (0.49) CNR2CNR1HRH1CYP2D6CHRM1
SCHEMBL2387916 0.79 CNR2 (0.49) CNR2CNR1PTPN1LOXL2GPR3
SCHEMBL10315720 0.79 CNR2 (0.43) CNR2CNR1HRH1CYP2D6CHRM1
SCHEMBL6060597 0.79 CNR2 (0.52) CNR2CNR1HRH1CYP2D6CHRM1
SCHEMBL10450091 0.77 CNR2 (0.51) CNR2CNR1HRH1CYP2D6CHRM1
SCHEMBL31229334 0.77 CNR2 (0.51) CNR2CNR1HRH1CYP2D6CHRM1
SCHEMBL13014899 0.76 HRH1 (0.36) CNR2CNR1HRH1CYP2D6CHRM1

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
CN-105992808-B Use of magnetic nanoparticles for depleting aromatic compounds in oil 综合E&P丹麦股份有限公司 2018-10-19 CN disclosed