SCHEMBL6224031

SCHEMBL6224031

O=CC(=O)N(c1ccncc1)c1cn(Cc2ccc(Cl)cc2)c2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ PTGDR2 Q9Y5Y4 2/20 0.39
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39
▸ TUBA4A P68366 1/20 0.39
▸ TUBB4B P68371 1/20 0.39
▸ TUBB3 Q13509 1/20 0.39
▸ TUBB2A Q13885 1/20 0.39
▸ TUBB8 Q3ZCM7 1/20 0.39
▸ TUBA3E Q6PEY2 1/20 0.39
▸ TUBA1A Q71U36 1/20 0.39
▸ TUBA1C Q9BQE3 1/20 0.39
▸ TUBB6 Q9BUF5 1/20 0.39

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
SCHEMBL6222754 0.91 PDE4A (0.49) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL6221716 0.87 PDE4A (0.47) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL6221652 0.86 CNR1 (0.44) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL6223092 0.84 PDE4A (0.46) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL6223621 0.81 TP53 (0.45) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL6221877 0.80 PDE4A (0.47) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL6224864 0.80 PDE4A (0.57) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL6222086 0.78 PDE4A (0.44) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL6226018 0.77 TSHR (0.43) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL6224573 0.76 PDE4A (0.44) CNR1CNR2PDE4APDE4BPDE4C

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
EP-1330455-B1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME ELBION AG (DE) 2005-08-03 — — EP claimed
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