SCHEMBL7017144

SCHEMBL7017144

CCOC(=O)OC1CCN(c2nc(NCc3ccccc3)c3cc(Cl)sc3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.45
HTR3A P46098 1/20 0.45
CTNNB1 P35222 13/20 0.44
TCF7L2 Q9NQB0 13/20 0.44
PDE5A O76074 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR2A P28223 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL7016980 0.93 CTNNB1 (0.48) HRH4CTNNB1TCF7L2
SCHEMBL7017246 0.92 HRH4 (0.44) HRH4HTR3ACTNNB1TCF7L2PDE5A
SCHEMBL7016678 0.90 PDE4A (0.40) HRH4CTNNB1TCF7L2PDE5AKDM4E
SCHEMBL7019661 0.90 ICAM1 (0.46) HRH4HTR3ACTNNB1TCF7L2PDE5A
SCHEMBL7020325 0.90 HRH4 (0.47) HRH4HTR3ACTNNB1TCF7L2PDE5A
SCHEMBL7015295 0.89 MET (0.40) HRH4PDE5ADRD3
SCHEMBL7018883 0.89 CTNNB1 (0.42) HRH4HTR3ACTNNB1TCF7L2PDE5A
SCHEMBL8180828 0.88 MAPT (0.48) HRH4HTR3ACTNNB1TCF7L2PDE5A
SCHEMBL7422776 0.88 CCR4 (0.42) HRH4PDE5A
SCHEMBL7018705 0.88 PDE5A (0.47) PDE5A

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