SCHEMBL8111736

SCHEMBL8111736

COc1ccnc2c(C)cc(NC3=NCCN3)c(C)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 11/20 0.55
ADRA2B P18089 10/20 0.55
ADRA2C P18825 10/20 0.55
ADRA1A P35348 9/20 0.55
ADRA1D P25100 9/20 0.55
ADRA1B P35368 8/20 0.55
HTR1D P28221 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NR1I2 O75469 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL6964869 0.87 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1AADRA1D
Hydrochloric Acid SCHEMBL8692296 0.85 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1AADRA1D
Hydrochloric Acid SCHEMBL8111493 0.84 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL8103379 0.81 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL8111740 0.76 CDK5 (0.33) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL8117240 0.76 ADRA2C (0.55) ADRA2AADRA2BADRA2CADRA1AADRA1D
Hydrochloric Acid SCHEMBL8111465 0.75 ADRA2C (0.53) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL8111743 0.74 HTR2A (0.32) KDM4EALDH1A1LMNAMAPTHSD17B10
SCHEMBL7207377 0.71 ADRA2A (0.48) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL8022622 0.70 ADRA2A (0.65) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736020-B1 6-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2000-04-26 EP disclosed
US-5804587-A 6-(2-imidazolinylamino) quinolines useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1998-09-08 US disclosed
US-5739148-A RESPIRATORY SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, VISION DISORDERS THE PROCTER & GAMBLE COMPANY 1998-04-14 US disclosed
US-5578607-A 6-(2-imidazolinylamino)quinoline compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1996-11-26 US disclosed
EP-0736020-A1 6-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1996-10-09 EP disclosed
WO-1995016683-A1 6-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1995-06-22 WO disclosed