SCHEMBL7021735

SCHEMBL7021735

CCc1cc2c(NCc3ccc(F)cc3)nc(N3CCC(OC(=O)O)CC3)nc2s1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.47
CTNNB1 P35222 18/20 0.46
TCF7L2 Q9NQB0 18/20 0.46

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
SCHEMBL7014497 0.93 ICAM1 (0.48) HRH4CTNNB1TCF7L2
SCHEMBL7015667 0.91 CTNNB1 (0.48) HRH4CTNNB1TCF7L2
SCHEMBL8180347 0.90 PDE4A (0.50) HRH4CTNNB1TCF7L2
SCHEMBL7017442 0.90 CTNNB1 (0.49) HRH4CTNNB1TCF7L2
SCHEMBL7013978 0.89 PDE4A (0.43) HRH4CTNNB1TCF7L2
SCHEMBL7015416 0.89 ACHE (0.41) HRH4
SCHEMBL7012148 0.88 CTNNB1 (0.48) HRH4CTNNB1TCF7L2
SCHEMBL7017050 0.88 HRH4 (0.50) HRH4CTNNB1TCF7L2
SCHEMBL7016253 0.88 PDE4A (0.49) CTNNB1TCF7L2
SCHEMBL7008986 0.88 PDE4A (0.55) CTNNB1TCF7L2

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