SCHEMBL8205349

SCHEMBL8205349

Cc1c(N)ccc2ocnc12

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
DYRK1A Q13627 2/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
PIK3CA P42336 1/20 0.34
RPS6KA3 P51812 1/20 0.33

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
SCHEMBL5070680 0.79 HTR2A (0.36) HTR2AHTR2CDYRK1A
SCHEMBL30736022 0.76 LMNA (0.44) HTR2AHTR2CDYRK1A
SCHEMBL23870219 0.76 HTR2A (0.34) HTR2AHTR2C
SCHEMBL8213583 0.76 HTR2A (0.38) HTR2AHTR2CDYRK1A
SCHEMBL20836980 0.76 HTR2A (0.35) HTR2AHTR2CDYRK1A
SCHEMBL10054248 0.75 HTR2A (0.39) HTR2AHTR2CDYRK1A
SCHEMBL24489810 0.74 HTR2A (0.36) HTR2AHTR2C
SCHEMBL19700227 0.72 NOS3 (0.33) HTR2AHTR2C
SCHEMBL26502145 0.72
SCHEMBL926877 0.71 HSD17B10 (0.36) HTR2AHTR2CDYRK1ACYP3A4TSHR

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
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
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