SCHEMBL6587783

SCHEMBL6587783

c1ccc2[nH]c(NC3=NCCN3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 14/20 0.50
ADRA2B P18089 10/20 0.49
ADRA2C P18825 10/20 0.49
ADRA1A P35348 5/20 0.49
ADRA1D P25100 4/20 0.49
ADRA1B P35368 4/20 0.49
LMNA P02545 3/20 0.49
CYP2D6 P10635 2/20 0.49
NISCH Q9Y2I1 2/20 0.49
MEN1 O00255 1/20 0.49
SLC22A1 O15245 1/20 0.49
SLC22A3 O75751 1/20 0.49
HTR1A P08908 1/20 0.49
CYP2C9 P11712 1/20 0.49
HRH2 P25021 1/20 0.49
CYP2C19 P33261 1/20 0.49
OPRK1 P41145 1/20 0.49
KMT2A Q03164 1/20 0.49
HIF1A Q16665 1/20 0.49
SLC47A1 Q96FL8 1/20 0.49

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
SCHEMBL27075383 0.76 AOC3 (0.52) LMNAMEN1CYP2C9CYP2C19KMT2A
SCHEMBL7033559 0.73 ALOX15 (0.57) ADRA2AADRA2BADRA2CADRA1AADRA1D
Hydrochloric Acid SCHEMBL10353910 0.72 ALOX15 (0.56) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL7242222 0.70 APAF1 (0.64) ADRA2AADRA2BADRA2CLMNAMEN1
SCHEMBL1307492 0.70 NISCH (0.54) ADRA2AADRA2BADRA2CLMNACYP2D6
SCHEMBL29563733 0.70 MAPT (0.59) LMNAMEN1CYP2C9CYP2C19KMT2A
SCHEMBL1036359 0.70 ADRA2A (0.78) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11829976 0.70 MAPT (0.59) LMNAMEN1CYP2C9CYP2C19KMT2A
SCHEMBL1741683 0.69 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11859273 0.68 ADRA2A (0.68) ADRA2AADRA2BADRA2CADRA1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944621-B1 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2004-09-01 EP disclosed
US-6395764-B1 NOSAL DECONGESTION, RESPIRATORY SYSTEM DISORDERS THE PROCTER & GAMBLE COMPANY 2002-05-28 US disclosed
US-6162818-A 2-imidazolinylaminoindole compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 2000-12-19 US disclosed