SCHEMBL7742996

SCHEMBL7742996

c1cnc2cc(NC3NCCN3)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.54
CRBN Q96SW2 1/20 0.54
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR4A2 P43354 1/20 0.44
BAZ1A Q9NRL2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
P2RY14 Q15391 2/20 0.39
GSK3B P49841 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
NOTUM Q6P988 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL8117262 0.88 NPC1 (0.51) DDB1CRBNALDH1A1MEN1KMT2A
SCHEMBL8159204 0.81 ADRA2A (0.50) ALDH1A1MEN1KMT2AHTTCASP1
Hydrochloric Acid SCHEMBL29863275 0.76 DDB1 (0.52) DDB1CRBNCHRNA7
Hydrochloric Acid SCHEMBL29862596 0.76 DDB1 (0.52) DDB1CRBNCHRNA7
Hydrochloric Acid SCHEMBL23360203 0.76 DDB1 (0.52) DDB1CRBNCHRNA7
Hydrochloric Acid SCHEMBL23360201 0.76 DDB1 (0.52) DDB1CRBNCHRNA7
Hydrochloric Acid SCHEMBL23360342 0.76 DDB1 (0.52) DDB1CRBNCHRNA7
SCHEMBL598102 0.72 NR4A2 (0.58) DDB1CRBNALDH1A1MEN1KMT2A
SCHEMBL3072828 0.72 ALDH1A1 (0.58) DDB1CRBNALDH1A1MEN1KMT2A
SCHEMBL22658423 0.72 ALDH1A1 (0.53) DDB1CRBNALDH1A1MEN1KMT2A

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 15 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
US-6423724-B1 PREVENTION, THERAPY DISEASE THE PROCTER & GAMBLE COMPANY 2002-07-23 US disclosed
CN-1085945-C 7-(2-imidazolinylamino) quinoline compounds as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 2002-06-05 CN disclosed
EP-0734261-B1 7-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2001-06-27 EP 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-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-5716966-A RESPIRATORY SYSTEM DISORDERS; VISION DEFECTS; GASTROINTESTINAL DISORDERS THE PROCTER & GAMBLE COMPANY (US) 1998-02-10 US disclosed
CN-1137754-A 7-(2-imidazolinylamino) quinoline compounds as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 1996-12-11 CN 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
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
WO-1995020386-A1 7-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1995-08-03 WO disclosed