SCHEMBL8055769

SCHEMBL8055769

COc1ccccc1C1CNCCN1CCCNc1cc(=O)n(C)c(=O)n1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.56
TSHR P16473 3/20 0.56
ADRA1A P35348 3/20 0.56
MAPT P10636 2/20 0.56
HTR2B P41595 2/20 0.56
MAPK1 P28482 2/20 0.56
CYP3A4 P08684 2/20 0.56
ADRA2A P08913 2/20 0.56
ADRA2B P18089 2/20 0.56
ADRA2C P18825 2/20 0.56
LMNA P02545 1/20 0.56
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
HTR1A P08908 1/20 0.56
CYP2C9 P11712 1/20 0.56
DRD2 P14416 1/20 0.56
SLC6A4 P31645 1/20 0.56
CYP2C19 P33261 1/20 0.56
DRD3 P35462 1/20 0.56
PDE3A Q14432 1/20 0.56

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
SCHEMBL9527372 0.75 HTR2C (0.46) MAPTHTR2BLMNAADRB1DRD2
SCHEMBL5915126 0.74 DRD2 (0.51) MAPTHTR2BLMNAADRB1HTR1A
SCHEMBL28975143 0.72 MAPT (0.63) HRH1TSHRADRA1AMAPTHTR2B
Urapidil SCHEMBL48992 0.72 HTR1A (1.00) HRH1TSHRADRA1AMAPTHTR2B
Urapidil SCHEMBL29363219 0.72 HTR1A (1.00) HRH1TSHRADRA1AMAPTHTR2B
SCHEMBL8017476 0.72 HTR2C (0.41) TSHRADRA1AHTR2BADRB1HTR1A
Urapidil SCHEMBL1321654 0.71 MAPT (1.00) HRH1TSHRADRA1AMAPTHTR2B
Urapidil SCHEMBL30426045 0.71 MAPT (1.00) HRH1TSHRADRA1AMAPTHTR2B
SCHEMBL9132291 0.71 ADRA1A (0.64) HRH1TSHRADRA1AMAPTHTR2B
SCHEMBL10924750 0.70 SIGMAR1 (0.47) ADRA1ADRD2HTR2A

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