SCHEMBL6581982

SCHEMBL6581982

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.54
HTR1B P28222 4/20 0.54
CFB P00751 5/20 0.51
ADRA2C P18825 6/20 0.46
ADRA2A P08913 6/20 0.46
ADRA1A P35348 5/20 0.46
ADRA2B P18089 5/20 0.46
ADRA1D P25100 3/20 0.46
ADRA1B P35368 3/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KCNH2 Q12809 1/20 0.45
BLM P54132 2/20 0.45
NISCH Q9Y2I1 2/20 0.41
LMNA P02545 1/20 0.41
HTR1A P08908 1/20 0.41
HRH2 P25021 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL6579495 0.88 HTR1D (0.50) HTR1DHTR1BCFBADRA2CADRA2A
SCHEMBL6579623 0.82 HTR1D (0.51) HTR1DHTR1BCFBADRA2CADRA2A
SCHEMBL6585037 0.77 HTR1D (0.55) HTR1DHTR1BCFBADRA2CADRA2A
SCHEMBL10979251 0.75 HTR1D (0.71) HTR1DHTR1BCFBADRA2CADRA2A
Hydrochloric Acid SCHEMBL10973842 0.74 HTR1D (0.69) HTR1DHTR1BCFBADRA2CADRA2A
SCHEMBL6581987 0.73 FABP6 (0.40)
SCHEMBL11187565 0.72 HTR1D (0.76) HTR1DHTR1BCFBADRA2CADRA2A
SCHEMBL6581944 0.71 HTR1D (0.47) HTR1DHTR1BCFBADRA2CADRA2A
SCHEMBL6622913 0.70 FABP6 (0.55) TSHRCYP1A2TDP1
SCHEMBL29669307 0.70 FABP6 (0.55) CYP1A2

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