SCHEMBL6579371

SCHEMBL6579371

Cc1nc2c(C)c(NC3=NCCN3)cc(C#N)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 9/20 0.44
ADRA1A P35348 7/20 0.44
ADRA2B P18089 7/20 0.44
ADRA2C P18825 7/20 0.44
ADRA1D P25100 7/20 0.44
ADRA1B P35368 6/20 0.44
HTR7 P34969 1/20 0.39
HTR1D P28221 4/20 0.38
HTR1B P28222 3/20 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
SCHEMBL6579461 0.89 ADRA2A (0.43) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL6582501 0.88 ADRA2A (0.39) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL4639205 0.81 ADRA2A (0.47) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL4638692 0.77 ADRA2A (0.44) ADRA2AADRA1AADRA2BADRA2CADRA1D
Acetic Acid SCHEMBL16699530 0.76 ADRA2A (0.42) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL7210059 0.76 ADRA2A (0.46) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL7743446 0.76 ADRA2A (0.52) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL6579184 0.75 ADRA2A (0.46) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL6579373 0.75
SCHEMBL6579433 0.73 ADRA2A (0.64) ADRA2AADRA1AADRA2BADRA2CADRA1D

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