SCHEMBL7801565

SCHEMBL7801565

COc1ccccc1N1CCN(CCCNc2cc(=S)n(C)c(=O)n2C)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.81
HTR1A P08908 6/20 0.81
ADRA1A P35348 4/20 0.81
DRD3 P35462 4/20 0.81
MAPT P10636 2/20 0.81
CYP3A4 P08684 2/20 0.81
ADRA2A P08913 2/20 0.81
ADRA2B P18089 2/20 0.81
ADRA2C P18825 2/20 0.81
CYP2C9 P11712 2/20 0.81
CYP2C19 P33261 2/20 0.81
LMNA P02545 1/20 0.81
ADRB2 P07550 1/20 0.81
ADRB1 P08588 1/20 0.81
TSHR P16473 1/20 0.81
MAPK1 P28482 1/20 0.81
SLC6A4 P31645 1/20 0.81
HRH1 P35367 1/20 0.81
HTR2B P41595 1/20 0.81
PDE3A Q14432 1/20 0.81

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
Urapidil SCHEMBL29363219 0.90 HTR1A (1.00) DRD2HTR1AADRA1ADRD3MAPT
Urapidil SCHEMBL48992 0.90 HTR1A (1.00) DRD2HTR1AADRA1ADRD3MAPT
Urapidil SCHEMBL1321654 0.89 MAPT (1.00) DRD2HTR1AADRA1ADRD3MAPT
Urapidil SCHEMBL30426045 0.89 MAPT (1.00) DRD2HTR1AADRA1ADRD3MAPT
SCHEMBL13532733 0.87 HTR1A (0.94) DRD2HTR1AADRA1ADRD3MAPT
Urapidil SCHEMBL28768392 0.85 DRD2 (0.91) DRD2HTR1AADRA1ADRD3MAPT
Urapidil SCHEMBL28768407 0.82 DRD2 (0.84) DRD2HTR1AADRA1ADRD3MAPT
SCHEMBL6375436 0.80 ADRA1A (1.00) DRD2HTR1AADRA1ADRD3MAPT
SCHEMBL7799623 0.79 ADRA1A (0.83) DRD2HTR1AADRA1ADRD3MAPT
SCHEMBL14761169 0.78 ADRA1A (0.71) DRD2HTR1AADRA1ADRD3MAPT

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