SCHEMBL7665471

SCHEMBL7665471

Cc1c(NC2=NCCN2)c(Br)cc2[nH]c(C#N)nc12.Cc1c([N+](=O)[O-])ccc2[nH]c(N)nc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 4/20 0.39
▸ HTR1B P28222 3/20 0.39
▸ CFB P00751 4/20 0.36
▸ ADRA2C P18825 5/20 0.36
▸ ADRA1A P35348 3/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ ADRA2A P08913 4/20 0.35
▸ ADRA2B P18089 4/20 0.35
▸ MAPT P10636 1/20 0.34
▸ ADRA1D P25100 3/20 0.32
▸ ADRA1B P35368 2/20 0.32
▸ APOBEC3A P31941 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ PTGIR P43119 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL6581944 0.83 HTR1D (0.47) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL6579495 0.80 HTR1D (0.50) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL6579623 0.74 HTR1D (0.51) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL6583626 0.73 PSMB8 (0.43) MAPTTSHR
SCHEMBL6581982 0.71 HTR1D (0.54) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL6579698 0.70 TDP1 (0.44) TSHR
SCHEMBL6581945 0.63 PSMB8 (0.32) APOBEC3G
SCHEMBL6583421 0.63 PSMB8 (0.39) APOBEC3G
SCHEMBL7665475 0.61 TYMS (0.33) —
SCHEMBL6583417 0.60 MEN1 (0.43) MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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