SCHEMBL6969203

SCHEMBL6969203

CN=C(NC)Nc1ccc2cccnc2c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
TDP1 Q9NUW8 4/20 0.46
POLB P06746 1/20 0.46
CCR1 P32246 3/20 0.41
CCR5 P51681 3/20 0.41
CCR8 P51685 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MMP2 P08253 4/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 3/20 0.41
CYP3A4 P08684 2/20 0.41
GMNN O75496 1/20 0.41

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
SCHEMBL6969195 0.78 MAPT (0.44) ADRA1ATDP1POLBCCR1CCR5
SCHEMBL6142180 0.75 CYP3A4 (0.48) ADRA1ATDP1POLBCCR1CCR5
SCHEMBL7027610 0.71 MAPT (0.48) TDP1POLBCCR1CCR5CCR8
SCHEMBL4349747 0.69 MMP2 (0.56) ADRA1ATDP1POLBCCR1CCR5
SCHEMBL7743441 0.69 CYP1A2 (0.44) L3MBTL1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL7027606 0.68 MAPT (0.50) ADRA1ATDP1POLBCCR1CCR5
SCHEMBL5540587 0.67 MMP2 (0.59) ADRA1ATDP1CCR1CCR5CCR8
SCHEMBL8404537 0.66 LMNA (0.68) ADRA1ATDP1CCR1CCR5CCR8
SCHEMBL6142388 0.66 LMNA (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1A
Phenanthroline SCHEMBL9343811 0.65 KDM4E (0.84) ADRA1ATDP1POLBCCR1CCR5

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