SCHEMBL7743446

SCHEMBL7743446

Cc1c(NC2=NCCN2)cc(C#N)c2cccnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 11/20 0.52
ADRA2C P18825 11/20 0.52
ADRA1A P35348 10/20 0.52
ADRA2B P18089 10/20 0.52
ADRA1D P25100 8/20 0.52
ADRA1B P35368 8/20 0.52
CFB P00751 2/20 0.43
HTR7 P34969 1/20 0.43
KCNH2 Q12809 1/20 0.42
HTR1D P28221 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NR1I2 O75469 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL7742097 0.82 ADRA2A (0.55) ADRA2AADRA2CADRA1AADRA2BADRA1D
SCHEMBL8117240 0.80 ADRA2C (0.55) ADRA2AADRA2CADRA1AADRA2BADRA1D
Hydrochloric Acid SCHEMBL8111465 0.79 ADRA2C (0.53) ADRA2AADRA2CADRA1AADRA2BADRA1D
SCHEMBL4639205 0.78 ADRA2A (0.47) ADRA2AADRA2CADRA1AADRA2BADRA1D
SCHEMBL7210059 0.77 ADRA2A (0.46) ADRA2AADRA2CADRA1AADRA2BADRA1D
SCHEMBL8103379 0.77 ADRA2A (0.49) ADRA2AADRA2CADRA1AADRA2BADRA1D
SCHEMBL7743448 0.77 SLC40A1 (0.40) ALDH1A1HPGD
SCHEMBL6579184 0.76 ADRA2A (0.46) ADRA2AADRA2CADRA1AADRA2BADRA1D
SCHEMBL6579371 0.76 ADRA2A (0.44) ADRA2AADRA2CADRA1AADRA2BADRA1D
SCHEMBL4638692 0.76 ADRA2A (0.44) ADRA2AADRA2CADRA1AADRA2BADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423724-B1 PREVENTION, THERAPY DISEASE THE PROCTER & GAMBLE COMPANY 2002-07-23 US disclosed
EP-0734261-B1 7-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2001-06-27 EP disclosed
US-5916900-A TREATMENT OF NASAL CONGESTION, ASTHMA, COUGH, CARDIOVASCULAR DISORDERS, OCULAR DISORDERS, GASTROINTESTINAL DISORDERS, MIGRAINES, SUSBSTANCE ABUSE THE PROCTER & GAMBLE COMPANY (US) 1999-06-29 US disclosed
US-5716966-A RESPIRATORY SYSTEM DISORDERS; VISION DEFECTS; GASTROINTESTINAL DISORDERS THE PROCTER & GAMBLE COMPANY (US) 1998-02-10 US disclosed
US-5576437-A 7-(2-imidazolnylamino) quinoline compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1996-11-19 US disclosed
EP-0734261-A1 7-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1996-10-02 EP disclosed
WO-1995020386-A1 7-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1995-08-03 WO disclosed