SCHEMBL8213583

SCHEMBL8213583

CCc1c(N)ccc2ocnc12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
DYRK1A Q13627 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32

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
SCHEMBL25724320 0.80 NOS2 (0.39) HTR2AHTR2CNOS3NOS2MTNR1A
SCHEMBL8205349 0.76 HTR2A (0.37) HTR2AHTR2CDYRK1A
SCHEMBL19700546 0.75 NOS3 (0.38) HTR2AHTR2CNOS3NOS2
SCHEMBL20836980 0.71 HTR2A (0.35) HTR2AHTR2CDYRK1A
SCHEMBL20296468 0.71 MAPT (0.36) NOS3NOS2
SCHEMBL8216040 0.71 GABRA1 (0.33) HTR2AHTR2C
SCHEMBL10054248 0.71 HTR2A (0.39) HTR2AHTR2CDYRK1AMTNR1AMTNR1B
SCHEMBL24489810 0.70 HTR2A (0.36) HTR2AHTR2CMTNR1AMTNR1B
SCHEMBL30117633 0.68 NOS3 (0.41) NOS3NOS2
SCHEMBL215981 0.68 NOS3 (0.41) NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6110952-A PREVENTING OR TREATING NASAL CONGESTION, OTITIS MEDIA AND SINUSITIS WITHOUT UNDESIRED SIDE EFFECTS, ALSO ASTHMA, PAIN, MIGRAINE, SUBSTANCE ABUSE AND ADDICTION, GASTROINTESTINAL DISORDER, ULCER, STOMACH HYPERACIDITY THE PROCTER & GAMBLE COMPANY (US) 2000-08-29 US disclosed
CN-1242015-A 2-imidazolinylaminobenzoxazole compounds useful as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 2000-01-19 CN disclosed
EP-0944622-A1 2-IMIDAZOLINYLAMINOBENZOXAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP disclosed
WO-1998023611-A1 2-IMIDAZOLINYLAMINOBENZOXAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO disclosed