SCHEMBL7793938

SCHEMBL7793938

COc1cc(N)ccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.75
ADRA1B P35368 4/20 0.75
ADRA1D P25100 3/20 0.75
CYP3A4 P08684 2/20 0.75
ADRA2A P08913 2/20 0.75
ADRA2B P18089 2/20 0.75
ADRA2C P18825 2/20 0.75
PMP22 Q01453 2/20 0.75
HIF1A Q16665 1/20 0.75
HTR1A P08908 8/20 0.54
DRD2 P14416 5/20 0.54
MAPT P10636 2/20 0.54
DRD3 P35462 2/20 0.54
LMNA P02545 1/20 0.54
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
SLC6A4 P31645 1/20 0.54

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
SCHEMBL6375436 0.86 ADRA1A (1.00) ADRA1AADRA1BADRA1DCYP3A4ADRA2A
SCHEMBL7799768 0.85 ADRA1A (0.70) ADRA1AADRA1BADRA1DCYP3A4ADRA2A
SCHEMBL7803674 0.84 ADRA1A (0.69) ADRA1AADRA1BADRA1DCYP3A4ADRA2A
SCHEMBL7803795 0.84 ADRA1B (0.72) ADRA1AADRA1BADRA1DCYP3A4ADRA2A
SCHEMBL7799623 0.77 ADRA1A (0.83) ADRA1AADRA1BADRA1DCYP3A4ADRA2A
SCHEMBL7799617 0.76 ADRA1B (0.74) ADRA1AADRA1BADRA1DCYP3A4ADRA2A
SCHEMBL8053702 0.76 ADRA1A (0.76) ADRA1AADRA1BADRA1DCYP3A4ADRA2A
SCHEMBL7801653 0.75 ADRA1A (0.79) ADRA1AADRA1BADRA1DCYP3A4ADRA2A
SCHEMBL7803666 0.74 ADRA1A (0.73) ADRA1AADRA1BADRA1DCYP3A4ADRA2A
SCHEMBL8053704 0.74 ADRA1A (0.73) ADRA1AADRA1BADRA1DCYP3A4ADRA2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0796251-B1 URACIL DERIVATIVES BYK GULDEN LOMBERG CHEM FAB (DE) 2001-10-17 EP disclosed
US-6046329-A Uracil derivatives BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-04-04 US disclosed
WO-1996017831-A1 URACIL DERIVATIVES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-06-13 WO disclosed