SCHEMBL6280650

SCHEMBL6280650

COc1ccccc1Cc1cccc2c1CC=C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.44
IDO1 P14902 3/20 0.40
TAAR1 Q96RJ0 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL7185336 0.83 SLC6A2 (0.36) SLC6A2HTR2ASLC6A4HRH1OPRD1
SCHEMBL8766176 0.80 SLC6A2 (0.43) CHRM2CHRM1ALDH1A1MAPTLMNA
SCHEMBL3296809 0.76 IDO1 (0.61) CNR2IDO1TAAR1SIGMAR1CHRM2
SCHEMBL18872489 0.76 HTR2B (0.38) ADRA1ASLC6A2HTR2ASLC6A4HRH1
SCHEMBL6912491 0.73 GABRA1 (0.40) TAAR1MAPTL3MBTL1LMNATSHR
SCHEMBL7189957 0.73 SLC6A2 (0.36) SLC6A2HTR2ASLC6A4HRH1OPRD1
SCHEMBL22800045 0.71 IDO1 (0.52) CNR2IDO1TAAR1SIGMAR1CHRM2
SCHEMBL4751824 0.71 LMNA (0.54) CNR2HRH3LMNA
SCHEMBL1697397 0.71 ALDH1A1 (0.45) SIGMAR1ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL6912026 0.70 HTR2A (0.34) CHRM2KCNH2HRH3LMNAMAPK1

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
WO-2005044279-A1 PURINE NUCLEOSIDE PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2005-05-19 WO disclosed