SCHEMBL6579433

SCHEMBL6579433

Cc1nc2c(C)c(NC3=NCCN3)ccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 11/20 0.64
ADRA1A P35348 10/20 0.64
ADRA2B P18089 10/20 0.64
ADRA2C P18825 10/20 0.64
ADRA1D P25100 10/20 0.64
ADRA1B P35368 9/20 0.64
HTR7 P34969 1/20 0.49
KDM4E B2RXH2 1/20 0.47
NR1I2 O75469 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL7027488 0.87 ADRA2A (0.61) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL7742092 0.78 ADRA2A (0.67) ADRA2AADRA1AADRA2BADRA2CADRA1D
Povafonidine SCHEMBL6581181 0.78 ADRA2A (0.67) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL7028091 0.78 ADRA2A (1.00) ADRA2AADRA1AADRA2BADRA2CADRA1D
Povafonidine SCHEMBL8927783 0.77 ADRA2A (0.66) ADRA2AADRA1AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL8690213 0.77 ADRA2A (0.66) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL11788766 0.76 HTR1D (0.48) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL6785544 0.74 ADRA2A (0.58) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL7025901 0.74 ADRA2A (0.57) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL7033369 0.73 ADRA2A (0.58) 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