SCHEMBL7013850

SCHEMBL7013850

Cc1sc2nc(N3CCC(OC(=O)O)CC3)nc(NCc3ccccc3)c2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
HRH4 Q9H3N8 2/20 0.42
HTR3A P46098 1/20 0.42
PDE5A O76074 2/20 0.42
CTNNB1 P35222 10/20 0.41
TCF7L2 Q9NQB0 10/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
HTR2A P28223 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL7019165 0.93 HRH4 (0.45) HRH4CTNNB1TCF7L2
SCHEMBL7008973 0.92 KMT2A (0.42) EPHX2HRH4HTR3APDE5ACTNNB1
SCHEMBL7012162 0.92 ALDH1A1 (0.44) EPHX2HRH4PDE5ACTNNB1TCF7L2
SCHEMBL7018489 0.90 PDE4A (0.39) HRH4PDE5ACTNNB1TCF7L2PDE4A
SCHEMBL8170901 0.89 EPHX2 (0.46) EPHX2HRH4HTR3APDE5ACTNNB1
SCHEMBL7018546 0.88 JAK2 (0.40) HRH4PDE5AKDM4EDRD3
SCHEMBL7019915 0.88 PDE5A (0.42) PDE5A
SCHEMBL8181495 0.87 MAPT (0.48) EPHX2CTNNB1TCF7L2MAPTNPSR1
SCHEMBL7018507 0.87 PDE5A (0.48) PDE5A
SCHEMBL7017154 0.86 PDE4A (0.54) 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 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