SCHEMBL6670992

SCHEMBL6670992

CCOC(=O)c1c[nH]c2ccc(OC3CCN(C)CC3)nc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 14/20 0.47
HTR1D P28221 10/20 0.47
HTR1B P28222 8/20 0.47
HTR1A P08908 5/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR1E P28566 1/20 0.43
HTR6 P50406 1/20 0.43
HTR4 Q13639 1/20 0.43
TDO2 P48775 1/20 0.40
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
GABRB1 P18505 1/20 0.39
GABRA3 P34903 1/20 0.39

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
SCHEMBL6722245 0.85 HTR1F (0.51) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL6722057 0.80 HTR1F (0.47) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL9938051 0.79 MTNR1A (0.51) HTR1FHTR1DHTR1BGABRA1GABRB2
SCHEMBL6726534 0.78 HTR1F (0.49) HTR1FHTR1DHTR1BHTR1A
SCHEMBL6724813 0.76 HTR1A (0.55) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL6724677 0.74 HTR1F (0.42) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL622321 0.71 GABRA1 (0.54) GABRA1GABRB2GABRB1GABRA3
SCHEMBL6389885 0.71 GABRA1 (0.54) GABRA1GABRB2GABRB1GABRA3
SCHEMBL6726471 0.71 HTR1A (0.52) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL25193742 0.71 GABRA1 (0.46) GABRA1GABRB2GABRB1GABRA3

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
EP-1453831-A1 1H-PYRROLO(3,2-B)PYRIDINE-3-CARBOXYLIC ACID AMIDES Neurogen Corporation (US) 2004-09-08 EP disclosed
US-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 US disclosed
WO-2003044018-A1 1H-PYRROLO[3,2-B]PYRIDINE-3-CARBOXYLIC ACID AMIDES NEUROGEN CORPORATION (US) 2003-05-30 WO disclosed