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SCHEMBL7700338

SCHEMBL7700338

COc1ccc(N2Cc3ccc(C(C)N4Cc5cnc(O)cc5C4=O)cc3C2=O)cc1OC1CCCC1.COc1ccc(N2Cc3ccc(C(C)N4Cc5cnccc5C4=O)cc3C2=O)cc1OC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 11/20 0.38
▸ HTR2C P28335 3/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ PDE4B Q07343 8/20 0.36
▸ PDE4D Q08499 6/20 0.36
▸ PDE4C Q08493 5/20 0.36
▸ MCHR1 Q99705 1/20 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
SCHEMBL7703617 0.87 HTR2C (0.41) PDE4AHTR2CHTR2APDE4BPDE4D
SCHEMBL7698209 0.86 HTR2C (0.41) PDE4AHTR2CHTR2APDE4BPDE4D
SCHEMBL7700049 0.85 PDE4B (0.41) PDE4AHTR2CHTR2APDE4BPDE4D
SCHEMBL7697106 0.85 PDE4B (0.40) PDE4AHTR2CHTR2APDE4BPDE4D
SCHEMBL7698109 0.82 PDE4D (0.46) PDE4AHTR2CPDE4BPDE4DPDE4C
SCHEMBL8713389 0.81 HTR2C (0.47) PDE4AHTR2CPDE4BPDE4DPDE4C
Hydrochloric Acid SCHEMBL8710356 0.80 HTR2C (0.46) PDE4AHTR2CPDE4BPDE4DPDE4C
SCHEMBL7700345 0.78 MCHR1 (0.43) PDE4AHTR2CHTR2APDE4BPDE4D
SCHEMBL7705901 0.77 MCHR1 (0.42) PDE4AHTR2CHTR2APDE4BPDE4D
SCHEMBL7697382 0.77 PDE4A (0.43) PDE4AHTR2CHTR2APDE4BPDE4D

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