SCHEMBL7018883

SCHEMBL7018883

CCOC(=O)OC1CCN(c2nc(NCc3ccccc3)c3cc(C(F)(F)F)sc3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 14/20 0.42
TCF7L2 Q9NQB0 14/20 0.42
HRH4 Q9H3N8 2/20 0.42
PDE5A O76074 2/20 0.42
HTR3A P46098 1/20 0.40
RBP4 P02753 1/20 0.40
TTR P02766 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
SCHEMBL7014936 0.94 CTNNB1 (0.47) CTNNB1TCF7L2HRH4
SCHEMBL7019976 0.91 PDE5A (0.43) CTNNB1TCF7L2HRH4PDE5AHTR3A
SCHEMBL7017246 0.90 HRH4 (0.44) CTNNB1TCF7L2HRH4PDE5AHTR3A
SCHEMBL7020185 0.89 CTNNB1 (0.39) CTNNB1TCF7L2HRH4PDE5A
SCHEMBL7018675 0.89 MET (0.43)
SCHEMBL8178702 0.89 CTNNB1 (0.45) CTNNB1TCF7L2HRH4PDE5A
SCHEMBL7017144 0.89 HRH4 (0.45) CTNNB1TCF7L2HRH4PDE5AHTR3A
SCHEMBL7019661 0.89 ICAM1 (0.46) CTNNB1TCF7L2HRH4PDE5AHTR3A
SCHEMBL7013933 0.89 APP (0.39) CTNNB1TCF7L2PDE5A
SCHEMBL7016442 0.87 PDE4A (0.49) CTNNB1TCF7L2PDE5A

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-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP disclosed