SCHEMBL7698209

SCHEMBL7698209

COc1ccc(N2Cc3ccc(C(C)N4Cc5cnc(N)cc5C4=O)cc3C2=O)cc1OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.41
HTR2A P28223 2/20 0.41
PDE4B Q07343 10/20 0.40
PDE4A P27815 7/20 0.40
PDE4D Q08499 7/20 0.40
PDE4C Q08493 6/20 0.40
MCHR1 Q99705 2/20 0.40
HTR2B P41595 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
SCHEMBL7703617 0.91 HTR2C (0.41) HTR2CHTR2APDE4BPDE4APDE4D
SCHEMBL7697106 0.90 PDE4B (0.40) HTR2CHTR2APDE4BPDE4APDE4D
SCHEMBL7700049 0.89 PDE4B (0.41) HTR2CHTR2APDE4BPDE4APDE4D
SCHEMBL7700465 0.89 PDE4B (0.44) HTR2CHTR2APDE4BPDE4APDE4D
SCHEMBL8707421 0.87 HTR2C (0.46) HTR2CHTR2APDE4BPDE4APDE4D
SCHEMBL7700338 0.86 PDE4A (0.38) HTR2CHTR2APDE4BPDE4APDE4D
SCHEMBL7698640 0.82 MCHR1 (0.43) HTR2CHTR2APDE4BPDE4APDE4D
SCHEMBL7693761 0.81 PDE4B (0.57) HTR2CHTR2APDE4BPDE4APDE4D
SCHEMBL7697382 0.80 PDE4A (0.43) HTR2CHTR2APDE4BPDE4APDE4D
SCHEMBL8713013 0.80 HTR2C (0.46) HTR2CHTR2APDE4BPDE4APDE4D

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