SCHEMBL7122581

SCHEMBL7122581

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c3c(n(CC4CCCCC4)c12)CCCC3

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 18/20 0.53
▸ PDE4D Q08499 17/20 0.53
▸ PDE4A P27815 16/20 0.53
▸ PDE4C Q08493 16/20 0.53
▸ GFER P55789 1/20 0.42

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
SCHEMBL7131196 0.85 CNR1 (0.45) PDE4BPDE4DPDE4APDE4C
SCHEMBL8264832 0.85 PDE4D (0.47) PDE4BPDE4DPDE4APDE4CGFER
SCHEMBL7130963 0.85 PDE4D (0.48) PDE4BPDE4DPDE4APDE4CGFER
SCHEMBL5022381 0.83 PDE4D (0.53) PDE4BPDE4DPDE4APDE4C
SCHEMBL7176265 0.82 CNR1 (0.43) —
SCHEMBL5017961 0.82 PDE4B (0.51) PDE4BPDE4DPDE4APDE4C
SCHEMBL7129686 0.81 FABP4 (0.45) —
SCHEMBL73107 0.81 PDE4D (0.43) PDE4BPDE4DPDE4APDE4C
SCHEMBL84871 0.75 PDE4D (0.47) PDE4BPDE4DPDE4APDE4CGFER
SCHEMBL8263103 0.75 PDE4D (0.49) PDE4BPDE4DPDE4APDE4CGFER

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
WO-2004069831-A1 TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LTD. (US) 2004-08-19 — — WO claimed
WO-2004069831-A1 TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LTD. (US) 2004-08-19 — — WO disclosed
WO-2004069831-A1 TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LTD. (US) 2004-08-19 — — WO disclosed
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