SCHEMBL6579623

SCHEMBL6579623

Cc1cc2[nH]c(C#N)nc2c(C)c1NC1=NCCN1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.51
HTR1B P28222 4/20 0.51
CFB P00751 5/20 0.48
ADRA2C P18825 6/20 0.43
ADRA1A P35348 5/20 0.43
KCNH2 Q12809 1/20 0.43
ADRA2A P08913 6/20 0.39
ADRA2B P18089 5/20 0.39
NISCH Q9Y2I1 2/20 0.39
LMNA P02545 1/20 0.39
HTR1A P08908 1/20 0.39
HRH2 P25021 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1D P25100 3/20 0.39
ADRA1B P35368 3/20 0.39
ALOX15 P16050 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL6581944 0.89 HTR1D (0.47) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL6581982 0.82 HTR1D (0.54) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL6585037 0.74 HTR1D (0.55) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL7665471 0.74 HTR1D (0.39) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL6579495 0.71 HTR1D (0.50) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL11187565 0.69 HTR1D (0.76) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL11788766 0.68 HTR1D (0.48) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL11788752 0.67 HTR1D (0.48) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL10979251 0.67 HTR1D (0.71) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL6581945 0.66 PSMB8 (0.32) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037887-B1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY PROCTER & GAMBLE (US) 2004-07-14 EP claimed
EP-1037887-B1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY PROCTER & GAMBLE (US) 2004-07-14 EP disclosed
US-6486190-B1 5-(2-imidazolinylamino)-benzimidazole derivatives, their preparation and their use as .alpha.-adrenoceptor agonists with improved metabolic stability THE PROCTER & GAMBLE COMPANY 2002-11-26 US disclosed
EP-1037887-A1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY THE PROCTER & GAMBLE COMPANY (US) 2000-09-27 EP disclosed
WO-1999026942-A1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY THE PROCTER & GAMBLE COMPANY (US) 1999-06-03 WO disclosed