SCHEMBL7745462

SCHEMBL7745462

CN(C)CCn1c(CN2C(=O)C(=O)c3ccccc32)nc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
DRD2 P14416 2/20 0.45
HTR6 P50406 2/20 0.45
CES1 P23141 5/20 0.45
BCHE P06276 2/20 0.45
ALDH1A1 P00352 2/20 0.44
ALDH2 P05091 2/20 0.44
ALDH3A1 P30838 2/20 0.44
CHRM1 P11229 1/20 0.44
TOP2A P11388 1/20 0.44
TGM2 P21980 2/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
MAPT P10636 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL7745816 0.86 HEXA (0.53) POLBDRD2HTR6ALDH1A1TOP2A
SCHEMBL7740562 0.84 TSHR (0.57) POLBCES1BCHEALDH1A1ALDH2
SCHEMBL7740965 0.83 TSHR (0.49) CES1BCHEALDH1A1ALDH2ALDH3A1
SCHEMBL6480793 0.82 CES1 (0.45) CES1BCHEALDH1A1ALDH2ALDH3A1
SCHEMBL7745897 0.79 RAB9A (0.46) POLBCES1ALDH1A1ALDH2ALDH3A1
SCHEMBL7745820 0.78 POLB (0.41) POLBALDH1A1TOP2ALMNAMAPT
SCHEMBL7745883 0.76 AGTR1 (0.42) POLBALDH1A1LMNAMAPT
SCHEMBL4205713 0.76 DRD2 (0.72) DRD2HTR6CES1BCHEALDH1A1
SCHEMBL7745712 0.76 PKM (0.48) POLBALDH1A1TOP2ALMNAHTR2A
SCHEMBL7745904 0.75 DRD2 (0.44) POLBDRD2ALDH1A1LMNAMAPT

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-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed