SCHEMBL19382001

SCHEMBL19382001

CNc1nn2c(C)c(CCN(C)C)c(C)nc2c1[S+]([O-])c1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.54
PANK1 Q8TE04 2/20 0.38
PANK3 Q9H999 2/20 0.38
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL12428376 0.79 HTR6 (0.83) HTR6
SCHEMBL12427165 0.70 HTR6 (1.00) HTR6
SCHEMBL12427516 0.70 HTR6 (0.83) HTR6
SCHEMBL19382048 0.69 HTR6 (0.58) HTR6ALDH1A1
SCHEMBL12427363 0.69 HTR6 (1.00) HTR6
SCHEMBL19382417 0.69 HTR6 (0.70) HTR6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2304131 0.68 HTR6 (0.61) HTR6
SCHEMBL12427525 0.67 HTR6 (0.86) HTR6
SCHEMBL12427524 0.67 HTR6 (1.00) HTR6
SCHEMBL12427371 0.67 HTR6 (0.83) HTR6

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-3020719-B1 SUBSTITUTED 3-ARYLSULFONYL-PYRAZOLO[1,5-A]PYRIMIDINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS AND METHODS FOR THE PRODUCTION AND USE THEREOF AND METHODS FOR THE PRODUCTION AND USE THEREOF ALLA CHEM LLC (US) 2017-09-20 EP disclosed