SCHEMBL8544496

SCHEMBL8544496

N=C(N)N1CCc2ccc([O])cc2C1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 9/20 0.63
HTR1A P08908 1/20 0.63
ADRA2A P08913 1/20 0.63
CYP2D6 P10635 1/20 0.63
MAOA P21397 1/20 0.63
SLC6A2 P23975 1/20 0.63
LMNA P02545 1/20 0.59
THRB P10828 1/20 0.59
TSHR P16473 1/20 0.59
PMP22 Q01453 1/20 0.59
HSD17B10 Q99714 1/20 0.59
F10 P00742 10/20 0.49
PRSS1 P07477 5/20 0.48
PRSS2 P07478 5/20 0.48
PRSS3 P35030 5/20 0.48
PLG P00747 3/20 0.48
F2 P00734 1/20 0.45

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
SCHEMBL1648407 0.81 TMPRSS2 (0.63) TMPRSS2HTR1AADRA2ACYP2D6MAOA
Guanisoquin SCHEMBL2109074 0.81 TMPRSS2 (0.63) TMPRSS2HTR1AADRA2ACYP2D6MAOA
SCHEMBL1648408 0.81 TMPRSS2 (0.63) TMPRSS2HTR1AADRA2ACYP2D6MAOA
Guanisoquin SCHEMBL121149 0.78 LMNA (0.68) TMPRSS2HTR1AADRA2ACYP2D6MAOA
Guanisoquin SCHEMBL29801607 0.78 LMNA (0.68) TMPRSS2HTR1AADRA2ACYP2D6MAOA
Debrisoquin SCHEMBL309184 0.78 TMPRSS2 (1.00) TMPRSS2HTR1AADRA2ACYP2D6MAOA
Debrisoquin SCHEMBL29390380 0.78 TMPRSS2 (1.00) TMPRSS2HTR1AADRA2ACYP2D6MAOA
SCHEMBL24891975 0.75 TMPRSS2 (0.80) TMPRSS2HTR1AADRA2ACYP2D6MAOA
SCHEMBL22755532 0.74 TMPRSS2 (0.63) TMPRSS2HTR1AADRA2ACYP2D6MAOA
Debrisoquin SCHEMBL29711278 0.74 LMNA (1.00) TMPRSS2HTR1AADRA2ACYP2D6MAOA

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
EP-0846115-A1 NEW CYCLIC GUANIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS Roche Diagnostics GmbH (DE) 1998-06-10 EP disclosed
WO-1997008165-A1 NEW CYCLIC GUANIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS BOEHRINGER MANNHEIM GMBH (DE) 1997-03-06 WO disclosed