SCHEMBL6965134

SCHEMBL6965134

Cc1c(NC2=NCCCN2)ccc2nccnc12

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 15/20 0.85
ADRA2C P18825 14/20 0.85
ADRA2B P18089 13/20 0.85
ADRA1D P25100 13/20 0.85
ADRA1B P35368 11/20 0.85
ADRA1A P35348 11/20 0.85
KDM4E B2RXH2 1/20 0.60
NR1I2 O75469 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
HTR1A P08908 1/20 0.60
CYP2D6 P10635 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
ALOX15 P16050 1/20 0.60
MAPK1 P28482 1/20 0.60
BLM P54132 1/20 0.60
HSD17B10 Q99714 1/20 0.60

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
SCHEMBL7028091 0.92 ADRA2A (1.00) ADRA2AADRA2CADRA2BADRA1DADRA1B
Fumaric Acid SCHEMBL27521800 0.90 ADRA2A (0.69) ADRA2AADRA2CADRA2BADRA1DADRA1B
SCHEMBL1670164 0.78 ADRA2A (0.59) ADRA2AADRA2CADRA2BADRA1DADRA1B
Brimonidine SCHEMBL24670 0.75 ADRA2A (1.00) ADRA2AADRA2CADRA2BADRA1DADRA1B
Brimonidine SCHEMBL20511531 0.75 ADRA2A (1.00) ADRA2AADRA2CADRA2BADRA1DADRA1B
SCHEMBL29171467 0.75 ADRA2A (1.00) ADRA2AADRA2CADRA2BADRA1DADRA1B
SCHEMBL3353162 0.75 ADRA2A (0.71) ADRA2AADRA2CADRA2BADRA1DADRA1B
Brimonidine SCHEMBL29374525 0.75 ADRA2A (1.00) ADRA2AADRA2CADRA2BADRA1DADRA1B
Brimonidine SCHEMBL1685506 0.74 ADRA2A (0.97) ADRA2AADRA2CADRA2BADRA1DADRA1B
Brimonidine SCHEMBL22616115 0.74 ADRA2A (0.97) ADRA2AADRA2CADRA2BADRA1DADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944603-B1 PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES PROCTER & GAMBLE (US) 2003-02-19 EP disclosed
US-6066740-A Process for making 2-amino-2-imidazoline, guanidine and 2-amino-3,4,5,6-tetrahydropyrimidine derivatives THE PROCTER & GAMBLE COMPANY (US) 2000-05-23 US disclosed
EP-0944603-A1 PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP disclosed
WO-1998023595-A1 PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO disclosed