SCHEMBL7016359

SCHEMBL7016359

Cc1cc2c(NCc3ccccc3)nc(N3CCC(OC(=O)O)CC3)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.47
PDE5A O76074 2/20 0.47
CTNNB1 P35222 12/20 0.45
TCF7L2 Q9NQB0 12/20 0.45
HTR3A P46098 1/20 0.45
HTR2A P28223 1/20 0.44
DRD3 P35462 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
AADAT Q8N5Z0 1/20 0.42

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
SCHEMBL7017442 0.93 CTNNB1 (0.49) HRH4CTNNB1TCF7L2
SCHEMBL7017246 0.91 HRH4 (0.44) HRH4PDE5ACTNNB1TCF7L2HTR3A
SCHEMBL7014497 0.89 ICAM1 (0.48) HRH4PDE5ACTNNB1TCF7L2HTR3A
SCHEMBL7020325 0.89 HRH4 (0.47) HRH4PDE5ACTNNB1TCF7L2HTR3A
SCHEMBL7011197 0.89 PDE4A (0.43) HRH4PDE5ACTNNB1TCF7L2HTR3A
SCHEMBL7020117 0.89 PDE5A (0.42) HRH4PDE5ADRD3KDM4EMAPT
SCHEMBL7014271 0.88 APP (0.42) HRH4PDE5A
SCHEMBL8182382 0.88 CTNNB1 (0.51) HRH4PDE5ACTNNB1TCF7L2HTR3A
SCHEMBL7019976 0.87 PDE5A (0.43) HRH4PDE5ACTNNB1TCF7L2HTR3A
SCHEMBL7019721 0.87 PDE4A (0.50) PDE5ACTNNB1TCF7L2KDM4EMAPT

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-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP disclosed
EP-0934321-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GmbH (DE) 1999-08-11 EP disclosed
WO-1998017668-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 1998-04-30 WO disclosed