SCHEMBL7698197

SCHEMBL7698197

COc1ccc(N2Cc3ccc(C(C)N4C(=O)c5cnc(C(=N)N)cc5C4=O)cc3C2=O)cc1OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.43
PDE4A P27815 7/20 0.43
PDE4D Q08499 7/20 0.43
PDE4C Q08493 6/20 0.43
HTR2C P28335 6/20 0.39
HTR2A P28223 3/20 0.39
MCHR1 Q99705 2/20 0.38
HTR2B P41595 2/20 0.36

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
SCHEMBL7698884 0.92 PDE4B (0.45) PDE4BPDE4APDE4DPDE4CHTR2C
SCHEMBL7700387 0.91 PDE4B (0.45) PDE4BPDE4APDE4DPDE4CHTR2C
SCHEMBL7700465 0.90 PDE4B (0.44) PDE4BPDE4APDE4DPDE4CHTR2C
SCHEMBL7697106 0.90 PDE4B (0.40) PDE4BPDE4APDE4DPDE4CHTR2C
SCHEMBL7697382 0.88 PDE4A (0.43) PDE4BPDE4APDE4DPDE4CHTR2C
SCHEMBL7698383 0.87 PDE4B (0.44) PDE4BPDE4APDE4DPDE4CHTR2C
SCHEMBL7697259 0.87 PDE4B (0.43) PDE4BPDE4APDE4DPDE4CHTR2C
SCHEMBL7693761 0.84 PDE4B (0.57) PDE4BPDE4APDE4DPDE4CHTR2C
SCHEMBL7700899 0.82 PDE4B (0.47) PDE4BPDE4APDE4DPDE4CHTR2C
SCHEMBL7700049 0.81 PDE4B (0.41) PDE4BPDE4APDE4DPDE4CHTR2C

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
WO-2002081446-A1 3-CYCLOPENTYLOXY-4-METHOXYPHENYL-ISOINDOLINONE DERIVATIVES AND THE USE THEREOF DAEWOONG CO., LTD. (KR) 2002-10-17 WO disclosed