SCHEMBL7019661

SCHEMBL7019661

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.46
SELE P16581 1/20 0.46
VCAM1 P19320 1/20 0.46
P2RY12 Q9H244 2/20 0.44
PDE5A O76074 2/20 0.43
HRH4 Q9H3N8 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CTNNB1 P35222 10/20 0.42
TCF7L2 Q9NQB0 10/20 0.42
HTR3A P46098 1/20 0.41
HTR2A P28223 1/20 0.41
DRD3 P35462 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7015667 0.93 CTNNB1 (0.48) HRH4CTNNB1TCF7L2
SCHEMBL7017246 0.92 HRH4 (0.44) PDE5AHRH4KDM4ECTNNB1TCF7L2
SCHEMBL7014497 0.92 ICAM1 (0.48) ICAM1SELEVCAM1P2RY12PDE5A
SCHEMBL7017144 0.90 HRH4 (0.45) PDE5AHRH4KDM4ECTNNB1TCF7L2
SCHEMBL8179254 0.89 ICAM1 (0.48) ICAM1SELEVCAM1P2RY12PDE5A
SCHEMBL7012151 0.89 PDE4A (0.40) P2RY12PDE5AHRH4KDM4EALDH1A1
SCHEMBL7018514 0.89 MET (0.38) P2RY12PDE5AHRH4KDM4EALDH1A1
SCHEMBL7018883 0.89 CTNNB1 (0.42) PDE5AHRH4CTNNB1TCF7L2HTR3A
SCHEMBL7016913 0.88 APP (0.40) P2RY12PDE5AKDM4EALDH1A1HSD17B10
SCHEMBL7016265 0.88 PDE4A (0.51) PDE5AKDM4EALDH1A1HSD17B10CTNNB1

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