SCHEMBL8183202

SCHEMBL8183202

Cc1sc2nc(N3CCC(C(=O)O)CC3)nc(NCc3ccc(Cl)c(Cl)c3)c2c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49
PDE5A O76074 5/20 0.42
PDE2A O00408 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CTNNB1 P35222 10/20 0.40
TCF7L2 Q9NQB0 10/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL8180295 0.93 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8170609 0.91 PDE5A (0.52) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8177714 0.90 ALDH1A1 (0.50) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7018489 0.90 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8170901 0.89 EPHX2 (0.46) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8171136 0.89 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8172354 0.89 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8185560 0.88 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8178158 0.88 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8171364 0.86 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE5A

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
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed