SCHEMBL8053705

SCHEMBL8053705

CCOc1c(F)c(F)c(F)c(F)c1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 2/20 0.53
CYP3A4 P08684 2/20 0.53
ADRA2A P08913 2/20 0.53
ADRA2B P18089 2/20 0.53
ADRA2C P18825 2/20 0.53
ADRA1A P35348 2/20 0.53
PMP22 Q01453 2/20 0.53
ADRA1D P25100 1/20 0.53
HIF1A Q16665 1/20 0.53
HTR1A P08908 4/20 0.37
HTR2A P28223 3/20 0.37
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
CYP2C9 P11712 1/20 0.34
DRD2 P14416 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SLC6A4 P31645 1/20 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
SCHEMBL8040905 0.86 ADRA1B (0.40) ADRA1BCYP3A4ADRA2AADRA2BADRA2C
SCHEMBL6375436 0.69 ADRA1A (1.00) ADRA1BCYP3A4ADRA2AADRA2BADRA2C
SCHEMBL7799617 0.69 ADRA1B (0.74) ADRA1BCYP3A4ADRA2AADRA2BADRA2C
SCHEMBL7803795 0.68 ADRA1B (0.72) ADRA1BCYP3A4ADRA2AADRA2BADRA2C
SCHEMBL7793938 0.67 ADRA1A (0.75) ADRA1BCYP3A4ADRA2AADRA2BADRA2C
SCHEMBL8053704 0.66 ADRA1A (0.73) ADRA1BCYP3A4ADRA2AADRA2BADRA2C
SCHEMBL7799826 0.66 CYP3A4 (0.45) ADRA1BCYP3A4ADRA2AADRA2BADRA2C
SCHEMBL7802119 0.66 ADRA2A (0.54) ADRA1BCYP3A4ADRA2AADRA2BADRA2C
SCHEMBL7801609 0.65 ADRA1A (0.51) ADRA1BCYP3A4ADRA2AADRA2BADRA2C
SCHEMBL9236522 0.64 CYP3A4 (0.60) ADRA1BCYP3A4ADRA2AADRA2BADRA2C

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-6046329-A Uracil derivatives BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-04-04 US disclosed