SCHEMBL6579429

SCHEMBL6579429

Cc1nc2c(C)c(NN3C=NCC3)ccc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
PARP1 P09874 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6579436 0.78 TACR2 (0.30)
SCHEMBL7207410 0.72
SCHEMBL6581894 0.68 ADRB2 (0.35) ADRB2PARP1
SCHEMBL6581189 0.68 CYP26A1 (0.32)
SCHEMBL6579433 0.68 ADRA2A (0.64)
SCHEMBL13594653 0.66 ADRB2 (0.52) ADRB2PARP1SMN1; SMN2
SCHEMBL6142162 0.66 PARP1 (0.43) ADRB2PARP1HRH4
SCHEMBL353026 0.65 CBFB (0.51) ADRB2OPRM1PARP1NPC1RAB9A
SCHEMBL6509697 0.62 ADRB2 (0.58) ADRB2PARP1
SCHEMBL8265272 0.62 HRH4 (0.48) ADRB2PARP1HRH4

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