SCHEMBL6667390

SCHEMBL6667390

Cc1oc2ccc(N)nc2c1CCN(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.52
NOS1 P29475 13/20 0.34
NOS3 P29474 9/20 0.34
NOS2 P35228 8/20 0.34
CDK9 P50750 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 1/20 0.33
HTR6 P50406 2/20 0.31
PTPN1 P18031 2/20 0.30
HTR1A P08908 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL6641025 0.75 HTR1F (0.71) HTR1F
SCHEMBL8547804 0.72 NPC1 (0.41) HTR1FCDK9DYRK1ADYRK2HTR6
SCHEMBL6643191 0.72 HTR1A (0.46) NOS1NOS3NOS2HTR6HTR1A
SCHEMBL6641956 0.71 HTR1F (0.81) HTR1F
Oxalic Acid SCHEMBL6646761 0.71 HTR1F (0.65) HTR1FHTR6HTR1AHTR2C
Hydrochloric Acid SCHEMBL8553027 0.71 NPC1 (0.40) HTR1FCDK9DYRK1ADYRK2HTR6
Oxalic Acid SCHEMBL6804728 0.67 HTR1F (0.94) HTR1FHTR6HTR1AHTR2C
SCHEMBL3758641 0.66 NOS1 (0.36) HTR1FNOS1NOS3NOS2PTPN1
SCHEMBL24756923 0.62 NOS3 (0.43) NOS1NOS3NOS2CDK9DYRK1A
SCHEMBL29814450 0.62 TAAR1 (0.42) NOS1NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1155020-B1 FURO[3,2-B]PYRIDINES AS 5-HT1F AGONISTS LILLY CO ELI (US) 2004-02-04 EP disclosed