SCHEMBL6584946

SCHEMBL6584946

Cc1c(NC2=NCCN2)c(Br)cc2[nH]cnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.52
HTR1B P28222 4/20 0.52
ADRA2C P18825 8/20 0.51
CFB P00751 5/20 0.51
ADRA1A P35348 5/20 0.51
KCNH2 Q12809 1/20 0.51
ADRA2A P08913 7/20 0.41
ADRA2B P18089 7/20 0.41
ADRA1D P25100 5/20 0.41
ADRA1B P35368 4/20 0.41
CYP2D6 P10635 3/20 0.40
CYP1A2 P05177 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NISCH Q9Y2I1 2/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 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
SCHEMBL7086855 0.87 HTR1D (0.48) HTR1DHTR1BADRA2CCFBADRA1A
SCHEMBL6585037 0.87 HTR1D (0.55) HTR1DHTR1BADRA2CCFBADRA1A
SCHEMBL6579495 0.78 HTR1D (0.50) HTR1DHTR1BADRA2CCFBADRA1A
SCHEMBL7027643 0.78 ADRA2C (0.46) HTR1DHTR1BADRA2CCFBADRA1A
SCHEMBL6581944 0.75 HTR1D (0.47) HTR1DHTR1BADRA2CCFBADRA1A
Povafonidine SCHEMBL6581181 0.75 ADRA2A (0.67) HTR1DADRA2CADRA1AADRA2AADRA2B
SCHEMBL7028929 0.75 ADRA2A (0.46) HTR1DHTR1BADRA2CCFBADRA1A
Povafonidine SCHEMBL8927783 0.74 ADRA2A (0.66) HTR1DADRA2CADRA1AADRA2AADRA2B
SCHEMBL6584951 0.73 MEN1 (0.39) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL7086859 0.72 CFB (0.50) HTR1DHTR1BADRA2CCFBADRA1A

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-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